Crystallography Open Database

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4028733 CIFC14 H22 O4P 1 21 16.761; 9.463; 10.518
90; 105.293; 90
649.1Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang
Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application
Journal of Organic Chemistry, 2013, 78, 10960-10967
4028734 CIFC18 H23 N2 O4P b c a14.8934; 11.7913; 19.2041
90; 90; 90
3372.5Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang
Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application
Journal of Organic Chemistry, 2013, 78, 10960-10967
4028735 CIFC37 H42 N2 O12P 110.9237; 13.289; 13.9727
63.682; 81.338; 81.12
1788.56Carlos Aydillo; Claudio D. Navo; Jesús H. Busto; Francisco Corzana; María M. Zurbano; Alberto Avenoza; Jesús M. Peregrina
A Double Diastereoselective Michael-Type Addition as an Entry to Conformationally Restricted Tn Antigen Mimics
Journal of Organic Chemistry, 2013, 78, 10968-10977
4028736 CIFC23 H15 OP 1 21 16.1502; 8.0705; 17.2765
90; 94.719; 90
854.62Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni
Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives
Journal of Organic Chemistry, 2013, 78, 11017-11031
4028737 CIFC23 H16 OP 1 21/c 120.9774; 8.871; 17.3971
90; 91.719; 90
3236Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni
Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives
Journal of Organic Chemistry, 2013, 78, 11017-11031
4028738 CIFC6 H15 Br Cu NI -4 3 m12.1176; 12.1176; 12.1176
90; 90; 90
1779.3Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin
Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features
Journal of Organic Chemistry, 2013, 78, 11126-11146
4028739 CIFC34 H26 Cu2 F12 N6 O10P 1 21/n 19.9504; 19.6941; 10.6513
90; 111.044; 90
1948.1Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin
Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features
Journal of Organic Chemistry, 2013, 78, 11126-11146
4028740 CIFC38 H30 Cu2 F12 N2 O10P -18.0701; 10.4214; 12.9523
71.799; 75.062; 80.007
994.69Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin
Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features
Journal of Organic Chemistry, 2013, 78, 11126-11146
4028741 CIFC42 H38 N4 Ni O3C 1 2 115.67; 10.967; 21.785
90; 107.289; 90
3574.7Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu
Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate
Journal of Organic Chemistry, 2013, 78, 11204-11212
4028742 CIFC42 H37 Br N4 Ni O3P 1 21 120.601; 8.4696; 31.301
90; 91.992; 90
5458.2Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu
Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate
Journal of Organic Chemistry, 2013, 78, 11204-11212
4028743 CIFC15 H22 Br N O3 SP 1 21 111.2067; 7.1568; 22.836
90; 94.02; 90
1827Wei Huang; Jian-Liang Ye; Wei Zheng; Han-Qing Dong; Bang-Guo Wei
Radical Migration-Addition of N-tert-Butanesulfinyl Imines with Organozinc Reagents
Journal of Organic Chemistry, 2013, 78, 11229-11237
4028744 CIFC41 H35 N3 O3P 1 21/c 120.9064; 9.3117; 17.345
90; 105.018; 90
3261.3Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen
Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3"]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole
Journal of Organic Chemistry, 2013, 78, 11577-11583
4028745 CIFC41 H35 N3 O3P 1 21/c 112.7517; 9.5503; 28.7063
90; 113.504; 90
3205.9Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen
Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3"]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole
Journal of Organic Chemistry, 2013, 78, 11577-11583
4028746 CIFC37 H33 N3 O3P 1 21/c 19.2909; 19.3115; 17.429
90; 112.188; 90
2895.57Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen
Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3"]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole
Journal of Organic Chemistry, 2013, 78, 11577-11583
4028747 CIFC17 H11 N S3P n a 2110.457; 11.4169; 12.6533
90; 90; 90
1510.63Silvia V. Rocha; Nathaniel S. Finney
Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers
Journal of Organic Chemistry, 2013, 78, 11255-11261
4028748 CIFC10 H18 Cl N2 O4 PP 43 21 28.2039; 8.2039; 21.191
90; 90; 90
1426.2Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028749 CIFC18 H18 Cl N2 O4 PP 18.7196; 12.0985; 18.3711
99.33; 95.904; 90.344
1901.75Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028750 CIFC19 H36 N3 O6 PP 1 21 110.02685; 10.35683; 23.9983
90; 97.9548; 90
2468.16Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028751 CIFC21 H32 N3 O6 PC 1 2 120.014; 6.1055; 20.653
90; 101.36; 90
2474.3Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028752 CIFC23 H28 N3 O6 PP 1 21 116.1499; 6.10696; 25.013
90; 98.553; 90
2439.52Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028753 CIFC23 H28 N3 O6 PP 1 21 111.3068; 8.2583; 13.1949
90; 101.098; 90
1209.03Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao
Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines
Journal of Organic Chemistry, 2013, 78, 11283-11293
4028754 CIFC95.5 H110 N4 O9P -115.3492; 15.621; 17.0234
89.136; 80.277; 86.364
4014.93Marcin Grajda; Michał Wierzbicki; Piotr Cmoch; Agnieszka Szumna
Inherently Chiral Iminoresorcinarenes through Regioselective Unidirectional Tautomerization
Journal of Organic Chemistry, 2013, 78, 11597-11601
4028755 CIFC58 H72 F12 N4 O4 Sb2P -110.6821; 11.5613; 12.1911
81.645; 83.7998; 79.6147
1460.02Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei
Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane
Journal of Organic Chemistry, 2013, 78, 11373-11381
4028756 CIFC74 H124 B22 Cl8 N4P -112.1617; 15.3473; 24.094
83.6615; 82.0615; 79.8284
4366.93Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei
Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane
Journal of Organic Chemistry, 2013, 78, 11373-11381
4028757 CIFC16 H19 N O7 SP 21 21 217.0511; 9.8605; 24.4965
90; 90; 90
1703.18José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey
Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors
Journal of Organic Chemistry, 2013, 78, 11404-11413
4028758 CIFC21 H29 N O8 SP 18.27; 9.0465; 16.281
83.342; 77.216; 87.954
1179.8José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey
Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors
Journal of Organic Chemistry, 2013, 78, 11404-11413
4028759 CIFC43 H34 Cl2 N4 O5P -111.4634; 13.4376; 13.962
112.753; 99.306; 101.604
1873.3Tuan-Jie Li; Zhong-Qiu Liu; Hong-Mei Yin; Chang-Sheng Yao; Bo Jiang; Xiang-Shan Wang; Shu-Jiang Tu; Xiu-Ling Li; Guigen Li
Metal-Free [3 + 2 + 1]/[2 + 2 + 1] Biscyclization: Stereospecific Construction with Concomitant Functionalization of Indolizin-5(1H)-one
Journal of Organic Chemistry, 2013, 78, 11414-11420
4028760 CIF
HKL
C16 H27 N5 O3 SP -112.6924; 14.0725; 17.2084
73.164; 89.207; 71.084
2772.1Asuman Durmus; Gorkem Gunbas; Steven C. Farmer; Marilyn M. Olmstead; Mark Mascal; Belete Legese; Jae-Young Cho; Rachel L. Beingessner; Takeshi Yamazaki; Hicham Fenniri
Synthesis of N-substituted Pyrido[4,3-d]pyrimidines for the Large-Scale Production of Self-Assembled Rosettes and Nanotubes
Journal of Organic Chemistry, 2013, 78, 11421-11426
4028761 CIFC17 H17 Br O5C 1 2/c 123.335; 6.2952; 23.129
90; 107.557; 90
3239.3Venu Srinivas; Mamoru Koketsu
Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Knoevenagel Condensation and Hetero-Diels-Alder Reaction in an Aqueous Medium
Journal of Organic Chemistry, 2013, 78, 11612-11617
4028762 CIFC15 H14 Br2 O3P 1 21/n 111.033; 10.0044; 14.451
90; 95.223; 90
1588.5Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou
Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates
Journal of Organic Chemistry, 2013, 78, 11470-11476
4028763 CIFC15 H14 O3P -17.471; 9.498; 9.667
77.39; 70.626; 86.718
631.4Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou
Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates
Journal of Organic Chemistry, 2013, 78, 11470-11476
4028764 CIFC19 H16 F N O2P 1 21/n 112.152; 7.7729; 16.896
90; 98.87; 90
1576.8Xiaochen Ji; Huawen Huang; Wanqing Wu; Xianwei Li; Huanfeng Jiang
Palladium-Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)-Enamines
Journal of Organic Chemistry, 2013, 78, 11155-11162
4028765 CIFC36 H38.5 B N0.5 O5P 21 21 215.326; 18.541; 11.368
90; 90; 90
3230.3Roza Vahabi; Wolfgang Frey; Jörg Pietruszka
Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes
Journal of Organic Chemistry, 2013, 78, 11549-11559
4028766 CIFC39 H44 B N O5P 21 21 2110.46; 16.7619; 19.5379
90; 90; 90
3425.6Roza Vahabi; Wolfgang Frey; Jörg Pietruszka
Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes
Journal of Organic Chemistry, 2013, 78, 11549-11559
4028767 CIFC39 H44 B N O5P 21 21 2110.8054; 15.9392; 20.1881
90; 90; 90
3477Roza Vahabi; Wolfgang Frey; Jörg Pietruszka
Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes
Journal of Organic Chemistry, 2013, 78, 11549-11559
4028768 CIFC44 H68 F12 N2 O16 P2P 1 21/c 18.013; 27.362; 25.684
90; 106.062; 90
5411Ziyong Li; Guoxing Liu; Wen Xue; Di Wu; Ying-Wei Yang; Jishan Wu; Sheng Hua Liu; Juyoung Yoon; Jun Yin
Construction of Hetero[n]rotaxanes by Use of Polyfunctional Rotaxane Frameworks
Journal of Organic Chemistry, 2013, 78, 11560-11570
4028769 CIFC16 H11 N O2P -17.44; 8.52; 10.916
82.128; 89.698; 64.857
619.4Ri-Yuan Tang; Xiao-Kang Guo; Jian-Nan Xiang; Jin-Heng Li
Palladium-Catalyzed Synthesis of 3-Acylated Indoles Involving Oxidative Cross-Coupling of Indoles with α-Amino Carbonyl Compounds
Journal of Organic Chemistry, 2013, 78, 11163-11171
4028770 CIFC26 H33 N3 O4P 21 21 2110.102; 10.1363; 46.985
90; 90; 90
4811.1Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin
Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers
Journal of Organic Chemistry, 2013, 78, 11637-11645
4028771 CIFC15 H20 N2 OP 1 21 18.6341; 5.2309; 15.231
90; 95.623; 90
684.58Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin
Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers
Journal of Organic Chemistry, 2013, 78, 11637-11645
4028772 CIFC31 H30 O3 P2P 1 21/c 19.17; 12.496; 23.338
90; 94.72; 90
2665.2Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Dmitriy S. Vinogradov; Rolf Gleiter; Nikolay S. Zefirov
Phosphonium-Iodonium Ylides with Heteroatomic Groups in the Synthesis of Annelated P-Containing Heterocycles
Journal of Organic Chemistry, 2013, 78, 11691-11697
4028773 CIFC19 H26 N2 O5 S2C 1 2/c 128.383; 11.6353; 15.9062
90; 107.593; 90
5007.2Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade
Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines
Journal of Organic Chemistry, 2013, 78, 11756-11764
4028774 CIFC19 H26 N2 O4 S2P 41 21 210.666; 10.666; 18.087
90; 90; 90
2058Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade
Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines
Journal of Organic Chemistry, 2013, 78, 11756-11764
4028775 CIFC32 H34 B NP 1 21/n 114.0232; 12.7797; 14.9172
90; 106.626; 90
2561.58Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028776 CIFC34 H38 B N O2P -111.0791; 11.447; 12.2458
100.964; 112.053; 92.043
1403.33Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028777 CIFC26 H30 B NP 1 21/n 19.6213; 20.391; 10.9103
90; 100.154; 90
2106.9Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028778 CIFC30 H38 B NP 1 21/c 119.3095; 8.7351; 15.5396
90; 108.725; 90
2482.3Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028779 CIFC28 H32 B NP 1 21/c 18.6193; 26.8803; 11.685
90; 103.057; 90
2637.3Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028780 CIFC31 H38 B N OP 1 21/c 18.8585; 31.3626; 9.4406
90; 95.78; 90
2609.51Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028781 CIFC33 H34 B N OC 1 2/c 129.1131; 10.8631; 18.7653
90; 116.993; 90
5288.17Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028782 CIFC64 H68 B2 N2P -111.962; 14.969; 16.155
105.132; 93.171; 93.324
2780.2Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028783 CIFC55 H56 B2 N2P -111.3808; 13.1225; 16.561
76.31; 77.264; 67.385
2195Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein
Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds
Journal of Organic Chemistry, 2013, 78, 11747-11755
4028784 CIF
HKL
C14 H10 N2 O5C 1 2/c 127.6966; 4.8683; 21.0108
90; 118.152; 90
2497.85Bright U. Emenike; Albert Tianxiang Liu; Elsy P. Naveo; John D. Roberts
Substituent Effects on Energetics of Peptide-Carboxylate Hydrogen Bonds as Studied by 1H NMR Spectroscopy: Implications for Enzyme Catalysis
Journal of Organic Chemistry, 2013, 78, 11765-11771
4028785 CIFC35 H41 N3 O3 SP -19.705; 10.735; 15.984
103.347; 106.187; 90.024
1552.3Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller
Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements
Journal of Organic Chemistry, 2013, 78, 11772-11782
4028786 CIFC24 H33 N3 O4P -19.784; 11.1537; 11.4846
90.8517; 98.4236; 112.35
1143.22Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller
Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements
Journal of Organic Chemistry, 2013, 78, 11772-11782
4028787 CIF
HKL
C8 H7 N2 O2 S2P c c n23.8045; 10.9781; 7.5754
90; 90; 90
1979.7Shuai Liang; Ruo-Yi Zhang; Long-Yi Xi; Shan-Yong Chen; Xiao-Qi Yu
Sulfonylation of Five-Membered Heterocycles via an SNAr Reaction
Journal of Organic Chemistry, 2013, 78, 11874-11880
4028788 CIFC27 H22 N2 O6P 1 21/n 110.1296; 18.4212; 11.9851
90; 91.991; 90
2235.1Wen-Chung Lin; Ding-Yah Yang
Photochromism of o-Nitrophenyl-Substituted Oxazabicycles
Journal of Organic Chemistry, 2013, 78, 11798-11806
4028789 CIFC28 H24 N2 O6P 1 21/c 111.5429; 14.5961; 13.7283
90; 103.401; 90
2249.98Wen-Chung Lin; Ding-Yah Yang
Photochromism of o-Nitrophenyl-Substituted Oxazabicycles
Journal of Organic Chemistry, 2013, 78, 11798-11806
4028790 CIFC18 H20 N2 O4P b c a11.6208; 8.9292; 31.995
90; 90; 90
3319.9Wen-Chung Lin; Ding-Yah Yang
Photochromism of o-Nitrophenyl-Substituted Oxazabicycles
Journal of Organic Chemistry, 2013, 78, 11798-11806
4028791 CIFC26 H18 N2 O6C 1 2/c 122.861; 10.2821; 18.164
90; 94.522; 90
4256.3Wen-Chung Lin; Ding-Yah Yang
Photochromism of o-Nitrophenyl-Substituted Oxazabicycles
Journal of Organic Chemistry, 2013, 78, 11798-11806
4028792 CIFC26 H22 N2 O4P 1 21/n 112.1763; 12.2873; 14.78
90; 97.307; 90
2193.33Wen-Chung Lin; Ding-Yah Yang
Photochromism of o-Nitrophenyl-Substituted Oxazabicycles
Journal of Organic Chemistry, 2013, 78, 11798-11806
4028793 CIFC34 H40 O6P 1 21 19.3544; 28.805; 11.3634
90; 92.382; 90
3059.26Xionghao Lin; Shuai Ji; Xue Qiao; Hongbo Hu; Ni Chen; Yinhui Dong; Yun Huang; Dean Guo; Pengfei Tu; Min Ye
Density Functional Theory Calculations in Stereochemical Determination of Terpecurcumins J-W, Cytotoxic Terpene-Conjugated Curcuminoids from Curcuma longa L.
Journal of Organic Chemistry, 2013, 78, 11835-11848
4028794 CIFC15 H12 Cl2 N4P -18.4052; 9.2279; 19.9876
88.001; 88.103; 81.877
1533.2M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo
Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)
Journal of Organic Chemistry, 2013, 78, 11824-11834
4028795 CIFC18 H16 N2 O2P 21 21 217.6054; 11.951; 17.019
90; 90; 90
1546.9M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo
Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)
Journal of Organic Chemistry, 2013, 78, 11824-11834
4028796 CIFC19 H16 N4P 1 21/n 116.904; 17; 17.259
90; 109.76; 90
4668M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo
Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)
Journal of Organic Chemistry, 2013, 78, 11824-11834
4028797 CIFC19 H16 Cl2 N4 PdC 1 2/c 121.257; 14.0225; 13.2352
90; 101.593; 90
3864.6M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo
Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)
Journal of Organic Chemistry, 2013, 78, 11824-11834
4028798 CIFC15 H17 N O7P 1 21/c 110.0112; 17.0294; 10.0896
90; 110.047; 90
1615.91Ping Cheng; Wenjie Shao; Derrick L. J. Clive
A General Route to 1,3'-Bipyrroles
Journal of Organic Chemistry, 2013, 78, 11860-11873
4028799 CIFC14 H14 N2 O6P 1 21/c 16.6903; 9.146; 23.0313
90; 97.33; 90
1397.76Ping Cheng; Wenjie Shao; Derrick L. J. Clive
A General Route to 1,3'-Bipyrroles
Journal of Organic Chemistry, 2013, 78, 11860-11873
4028800 CIFC17 H17 N OC 1 2/c 113.794; 13.183; 16.18
90; 106.781; 90
2817Weijun Fu; Fengjuan Xu; Yuqin Fu; Mei Zhu; Jiaqi Yu; Chen Xu; Dapeng Zou
Synthesis of 3,3-Disubstituted Oxindoles by Visible-Light-Mediated Radical Reactions of Aryl Diazonium Salts with N-Arylacrylamides
Journal of Organic Chemistry, 2013, 78, 12202-12206
4028801 CIF
HKL
C32 H41 N O6 SiP -18.93; 12.8309; 14.2483
97.358; 92.479; 107.783
1535.89Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini
Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction
Journal of Organic Chemistry, 2013, 78, 11901-11910
4028802 CIFC29 H36 Cl2 N2 O5 SiP -19.5513; 10.1186; 17.6081
78.541; 77.525; 69.229
1539.6Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini
Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction
Journal of Organic Chemistry, 2013, 78, 11901-11910
4028803 CIFC22 H26 N O3 PP 1 21/c 114.2596; 10.09; 15.1424
90; 114.587; 90
1981.14Lukas Jedinak; LaToya Rush; Mijoon Lee; Dusan Hesek; Jed F. Fisher; Bill Boggess; Bruce C. Noll; Shahriar Mobashery
Use of Silver Carbonate in the Wittig Reaction
Journal of Organic Chemistry, 2013, 78, 12224-12228
4028804 CIFC28 H26 N2 OP 21 21 215.7023; 18.621; 20.8
90; 90; 90
2208.6Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028805 CIFC26 H20 Cl2 N2 OP 1 21 15.07; 12.757; 33.28
90; 89.95; 90
2152Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028806 CIFC26 H19.5 Br2 N2 OP -110.3801; 15.2819; 15.5503
90.655; 90.471; 95.063
2456.82Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028807 CIFC26 H20 N4 O5P 1 21/c 111.718; 14.078; 13.761
90; 94.233; 90
2263.9Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028808 CIFC21 H24 N4 O5C 1 2/c 135.3642; 5.4364; 21.9052
90; 92.293; 90
4208Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028809 CIFC21 H24 Cl2 N2 OP 21 21 219.4784; 9.4781; 46.173
90; 90; 90
4148.1Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028810 CIFC17 H14 Cl2 O2C 1 c 130.2766; 10.3252; 19.7855
90; 92.296; 90
6180.2Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028811 CIFC27 H22 Br2 N2 OP 1 21/c 18.7708; 30.023; 9.596
90; 109.811; 90
2377.3Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu
Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry
Journal of Organic Chemistry, 2013, 78, 11911-11934
4028812 CIFC10 H8 Br N O2P 1 21/c 19.856; 13.199; 7.922
90; 109.051; 90
974.1Ram N. Ram; Vineet Kumar Soni
Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence
Journal of Organic Chemistry, 2013, 78, 11935-11947
4028813 CIFC15 H13 N O2P 1 21/c 17.872; 11.776; 13.692
90; 90.409; 90
1269.2Ram N. Ram; Vineet Kumar Soni
Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence
Journal of Organic Chemistry, 2013, 78, 11935-11947
4028814 CIFC14 H10 Cl N O2P -15.8376; 8.6923; 12.493
75.098; 85.414; 74.855
591.27Ram N. Ram; Vineet Kumar Soni
Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence
Journal of Organic Chemistry, 2013, 78, 11935-11947
4028815 CIFC14 H10 Br N O2P -15.331; 10.0858; 11.7987
109.051; 101.812; 92.026
583.35Ram N. Ram; Vineet Kumar Soni
Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence
Journal of Organic Chemistry, 2013, 78, 11935-11947
4028816 CIF
HKL
C86 H83 F24 N5 P4P -17.0565; 11.3492; 26.647
78.589; 89.279; 84.548
2082.4Jonathan C. Barnes; Michal Juríček; Nicolaas A. Vermeulen; Edward J. Dale; J. Fraser Stoddart
Synthesis of ExnBox Cyclophanes
Journal of Organic Chemistry, 2013, 78, 11962-11969
4028817 CIFC11 H9 Cl N2 OP 1 21/n 118.014; 11.966; 25.055
90; 98.57; 90
5340.44Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong
Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides
Journal of Organic Chemistry, 2013, 78, 11956-11961
4028818 CIFC11 H10 N2 OP 1 21/n 113.4278; 10.9087; 13.4767
90; 99.609; 90
1946.4Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong
Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides
Journal of Organic Chemistry, 2013, 78, 11956-11961
4028819 CIFC11 H14 N2 O4P -19.4112; 9.797; 13.2108
100.766; 94.837; 105.426
1141.9Sunkyu Han; Dustin S. Siegel; Karen C. Morrison; Paul J. Hergenrother; Mohammad Movassaghi
Synthesis and Anticancer Activity of All Known (-)-Agelastatin Alkaloids
Journal of Organic Chemistry, 2013, 78, 11970-11984
4028820 CIF
HKL
C28 H36 N2 O3P 32 2 117.3834; 17.3834; 48.1688
90; 90; 120
12605.7Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4028821 CIFC23 H24 N2 O3P 43 21 211.52756; 11.52756; 58.0386
90; 90; 90
7712.44Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4028822 CIF
HKL
C10 H10 O3P 1 21/n 18.2592; 5.45466; 38.5981
90; 91.672; 90
1738.15Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4028823 CIF
HKL
C10 H10 O3P 1 21/n 15.91473; 17.3076; 8.6214
90; 100.809; 90
866.91Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman
Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones
Journal of Organic Chemistry, 2013, 78, 12243-12250
4028824 CIF
HKL
C17 H12 O2P 1 21/n 121.8697; 5.5982; 22.38
90; 108.856; 90
2593Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang
Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives
Journal of Organic Chemistry, 2013, 78, 12018-12028
4028825 CIFC24 H19 N OP 1 21/n 119.701; 10.1591; 29.095
90; 102.041; 90
5695.1Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang
Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives
Journal of Organic Chemistry, 2013, 78, 12018-12028
4028826 CIFC24 H17 I2 N OP 1 21/n 19.841; 9.5876; 22.784
90; 94.824; 90
2142.1Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang
Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives
Journal of Organic Chemistry, 2013, 78, 12018-12028
4028827 CIFC13 H20 N4 O4 SiP -17.2895; 7.8258; 16.3446
85.433; 83.772; 89.605
923.9Henrik von Wachenfeldt; Daniel Strand
Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols
Journal of Organic Chemistry, 2013, 78, 12268-12273
4028828 CIFC16 H26 N4 O4 SiP -17.935; 8.125; 16.481
85.89; 80.43; 81.21
1034.3Henrik von Wachenfeldt; Daniel Strand
Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols
Journal of Organic Chemistry, 2013, 78, 12268-12273
4028829 CIFC23 H24 N4 O4 SiC 1 2/c 137.0549; 7.4656; 17.9306
90; 113.023; 90
4565.2Henrik von Wachenfeldt; Daniel Strand
Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols
Journal of Organic Chemistry, 2013, 78, 12268-12273
4028830 CIFC54 H101 N9 O13P 1 21 111.493; 20.119; 14.627
90; 90.154; 90
3382.2Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara
Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense
Journal of Organic Chemistry, 2013, 78, 12106-12113
4028831 CIFC79.92 H151.84 N12 O21.96P 21 21 2114.9724; 16.2335; 38.546
90; 90; 90
9368.8Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara
Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense
Journal of Organic Chemistry, 2013, 78, 12106-12113
4028832 CIFC71 H132 N12 O16P 21 21 2110.767; 20.452; 39.305
90; 90; 90
8655.2Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara
Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense
Journal of Organic Chemistry, 2013, 78, 12106-12113

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