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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

Qing Wang
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Zi Li Suo
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Yong Kui Zhang*
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Quan Hou
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Hui Li*
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]; [email protected]
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]; [email protected]

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
Copyright
Copyright © International Centre for Diffraction Data 2017 

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References

Anon (2013). “Crystalline forms of a 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine derivative”, IP.com J. 13(8A), 16.Google Scholar
Deeks, E. D. (2012). “Apixaban,” Drugs 72, 12711291.CrossRefGoogle ScholarPubMed
Neumann, M. A. (2003). “X-Cell: a novel indexing algorithm for routine tasks and difficult cases,” J. Appl. Crystallogr. 36, 356365.CrossRefGoogle Scholar
Pawley, G. S. (1981) “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14, 357361.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, 368369.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, 159161.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, 288291.CrossRefGoogle Scholar
Watson, J., Whiteside, G., and Perry, C. (2011). “Apixaban,” Drugs 71, 20792089.CrossRefGoogle ScholarPubMed
Ye, F. G. and Wang, T. L. (2015) “Process for preparation of apixaban and intermediates thereof,” CN Pat., 104844593.Google Scholar
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