No CrossRef data available.
Article contents
X-ray powder diffraction data for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester, C27H28N4O5
Published online by Cambridge University Press: 13 June 2017
Abstract
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7- tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester is an important intermediate in the synthesis of the anticoagulant, apixaban. X-ray powder diffraction data for this compound are reported [a = 14.101(4) Å, b = 10.105(6) Å, c = 9.532(7) Å, α = 72.774(1)°, β = 97.356(3)°, γ = 108.237(3)°, unit-cell volume V = 1231.45 Å3, Z = 2, and space group P-1]. No detectable impurities were observed.
- Type
- Data Reports
- Information
- Copyright
- Copyright © International Centre for Diffraction Data 2017
References
Anon (2013). “Crystalline forms of a 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine derivative”, IP.com J. 13(8A), 1–6.Google Scholar
Neumann, M. A. (2003). “X-Cell: a novel indexing algorithm for routine tasks and difficult cases,” J. Appl. Crystallogr. 36, 356–365.CrossRefGoogle Scholar
Pawley, G. S. (1981) “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14, 357–361.CrossRefGoogle Scholar
Singh, K., Srivastava, A. K., Tripathi, R., Verma, Jai P., Vir, D., Kumar, L., Masand, M., Shekhawat, R. S., Tiwari, R., and Biswas, S. (2015). “A process for the preparation of apixaban and its intermediates,” IN Pat., 2014MU00197.Google Scholar
Wang, Q., Huang, Y. M., Sun, Q. M., Ma, X. L., and Li, H. (2015a). “Powder X-ray diffraction of 5-Chloro-N-(4-nitrophenyl) pentanamide, C11H13ClN2O3
,” Powder Diffr. 30, 365.CrossRefGoogle Scholar
Wang, Q., Xiong, X. N., He, J. W., Tang, P. X., and Li, H. (2015b). “Powder X-ray diffraction of 1-(4-Nitrophenyl)-2-piperidinone, C11H12N2O3
,” Powder Diffr. 30, 366.Google Scholar
Wang, Q., Xiao, Y., He, J. W., and Li, H. (2015c). “Powder X-ray diffraction of 3,3-dichloro-1-(4-nitrophenyl)-2-piperidinone, C11H10Cl2N2O3
,” Powder Diffr. 30, 293.Google Scholar
Wang, Q., Tang, B., Tang, P. X., He, J. W., and Li, H. (2015d). “Powder X-ray diffraction of 3-(4-Morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)- pyridinone, C15H17N3O4
,” Powder Diffr. 30, 368–369.CrossRefGoogle Scholar
Wang, Q., Li, Y. P., Li, S. S., Tang, B., and Li, H. (2015e). “Powder X-ray diffraction of 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, C15H19N3O2
,” Powder Diffr. 30, 367.Google Scholar
Wang, Q., Guo, D., Tang, B., and Li, H. (2016a). “X-ray powder diffraction data for 5-chloro-N-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2H)-pyridinyl)phenyl)-pentanamide, C20H26ClN3O3
,” Powder Diffr. 31, 159–161.Google Scholar
Wang, Q., Zeng, X., Li, S. S., and Li, H. (2016b). “X-ray powder diffraction data for 5, 6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone, C20H25N3O3
,” Powder Diffr. 31, 288–291.CrossRefGoogle Scholar
Watson, J., Whiteside, G., and Perry, C. (2011). “Apixaban,” Drugs
71, 2079–2089.CrossRefGoogle ScholarPubMed
Ye, F. G. and Wang, T. L. (2015) “Process for preparation of apixaban and intermediates thereof,” CN Pat., 104844593.Google Scholar