Synthesis of 1-(tert-Butyl) 4-Methyl (1R,2S,4R)-2-Methylcyclohexane-1,4-Dicarboxylate from Hagemann's tert-Butyl Ester for an Improved Synthesis of BMS-986251.
Authors of publication
Cornelius, Lyndon A. M.; Li, Jianqing; Smith, Daniel; Krishnananthan, Subramaniam; Yip, Shiuhang; Wu, Dauh-Rurng; Pawluczyk, Joseph; Aulakh, Darpandeep; Sarjeant, Amy A.; Kempson, James; Tino, Joseph A.; Mathur, Arvind; Dhar, T. G. Murali; Cherney, Robert J.
Journal of publication
The Journal of organic chemistry
Year of publication
2020
a
9.5884 ± 0.0006 Å
b
14.8739 ± 0.0009 Å
c
15.0818 ± 0.0009 Å
α
90.941 ± 0.003°
β
94.795 ± 0.004°
γ
102.677 ± 0.003°
Cell volume
2089.8 ± 0.2 Å3
Cell temperature
100 K
Ambient diffraction temperature
100 K
Number of distinct elements
3
Space group number
1
Hermann-Mauguin space group symbol
P 1
Hall space group symbol
P 1
Residual factor for all reflections
0.085
Residual factor for significantly intense reflections
0.079
Weighted residual factors for significantly intense reflections
0.2003
Weighted residual factors for all reflections included in the refinement
0.2059
Goodness-of-fit parameter for all reflections included in the refinement
