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6-乙酰氨基-3,4-二氢-2H-1,4-苯并恶嗪-4-羧酸叔丁酯

tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.

作者信息

Gu Xiao-Bo

机构信息

Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 25;66(Pt 10):o2600. doi: 10.1107/S1600536810036937.

DOI:10.1107/S1600536810036937
PMID:21587577
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983301/
Abstract

The title mol-ecule, C(15)H(20)N(2)O(4), contains a benzene ring fused to an oxazine ring and one tert-but-oxy-carbonyl group bound to the N atom. An intra-molecular C-H⋯O inter-action occurs. In the crystal, mol-ecules are linked through inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

摘要

标题分子C(15)H(20)N(2)O(4)包含一个与恶嗪环稠合的苯环以及一个与N原子相连的叔丁氧羰基。存在分子内C-H⋯O相互作用。在晶体中，分子通过分子间N-H⋯O和C-H⋯O氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b1/2983301/bd3ed051d291/e-66-o2600-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b1/2983301/bd3ed051d291/e-66-o2600-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0b1/2983301/bd3ed051d291/e-66-o2600-fig1.jpg

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本文引用的文献

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Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.新型2,3-二氢-1,4-苯并恶嗪作为肿瘤驱动血管生成的强效口服生物可利用抑制剂
J Med Chem. 2008 Mar 27;51(6):1695-705. doi: 10.1021/jm701129j. Epub 2008 Feb 27.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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New substituted 1,4-benzoxazine derivatives with potential intracellular calcium activity.
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