Hostname: page-component-8448b6f56d-42gr6 Total loading time: 0 Render date: 2024-04-24T10:56:01.707Z Has data issue: false hasContentIssue false
  • English
  • Français

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 ,
Zi Li Suo ,
Yong Kui Zhang ,
Quan Hou  and
Hui Li
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: zhangyongkui@scu.edu.cn; lihuilab@sina.com
a)Author to whom correspondence should be addressed. Electronic mail: zhangyongkui@scu.edu.cn; lihuilab@sina.com
Get access Rights & Permissions [Opens in a new window]

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.

Keywords

pharmaceutical intermediateanticoagulantapixaban
Type
Data Reports
Information
Powder Diffraction , Volume 32 , Issue 3 , September 2017 , pp. 206 - 209
Check for updates
Copyright
Copyright © International Centre for Diffraction Data 2017 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

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
Deeks, E. D. (2012). “Apixaban,” Drugs 72, 1271–1291.CrossRefGoogle ScholarPubMed
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
Supplementary material: File

Wang supplementary material

Wang supplementary material

Download Wang supplementary material(File)
File 113.9 KB
Supplementary material: File

Wang et al. supplementary material

Supplementary data

Download Wang et al. supplementary material(File)
File 23.3 KB