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4-氨基甲酰基-3-甲氧基-亚氨基-4-甲基哌啶-1-羧酸叔丁酯

tert-Butyl 4-carbamoyl-3-methoxy-imino-4-methyl-piperidine-1-carboxyl-ate.

作者信息

Wang Juxian, Liu Mingliang, Cao Jue, Wang Yucheng

机构信息

Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Perking Union Medical College, Beijing 100050, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2294. doi: 10.1107/S1600536808036106.

DOI:10.1107/S1600536808036106
PMID:21581272
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960090/
Abstract

The title compound, C(13)H(23)N(3)O(4), was prepared starting from ethyl N-benzyl-3-oxopiperidine-4-carboxyl-ate through a nine-step reaction, including hydrogenation, Boc (tert-butoxy-carbon-yl) protection, methyl-ation, oximation, hydrolysis, esterification and ammonolysis. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds to form a porous three-dimensional network with solvent-free hydro-phobic channels extending along the c axis.

摘要

标题化合物C(13)H(23)N(3)O(4)是由N-苄基-3-氧代哌啶-4-羧酸乙酯经氢化、Boc(叔丁氧羰基)保护、甲基化、肟化、水解、酯化和氨解等九步反应制备而成。在晶体结构中,分子通过分子间N-H⋯O氢键相连,形成一个无溶剂疏水通道沿c轴延伸的多孔三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f566/2960090/a8bbff95b61a/e-64-o2294-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f566/2960090/2135b6505f22/e-64-o2294-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f566/2960090/a8bbff95b61a/e-64-o2294-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f566/2960090/2135b6505f22/e-64-o2294-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f566/2960090/a8bbff95b61a/e-64-o2294-fig2.jpg

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