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2-(5-溴-3-甲基亚磺酰基-1-苯并呋喃-2-基)乙酸甲酯

Methyl 2-(5-bromo-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

作者信息

Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 20;64(Pt 12):o2397. doi: 10.1107/S1600536808037768.

DOI:10.1107/S1600536808037768
PMID:21581367
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959898/
Abstract

The title compound, C(12)H(11)BrO(4)S, was synthesized by the oxidation of methyl 2-(5-bromo-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by C-H⋯π inter-actions, involving a methyl H atom and the benzene ring of a neighbouring mol-ecule, and by weak inter-molecular C-H⋯O hydrogen bonds.

摘要

标题化合物C(12)H(11)BrO(4)S是通过用3-氯过氧苯甲酸氧化2-(5-溴-3-甲基硫烷基-1-苯并呋喃-2-基)乙酸甲酯合成的。甲基亚磺酰取代基的O原子和甲基位于苯并呋喃环系统平面的相对两侧。晶体结构通过C-H⋯π相互作用（涉及一个甲基H原子和相邻分子的苯环）以及弱分子间C-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f95a/2959898/d926c49e7520/e-64-o2397-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f95a/2959898/8ec90704d4f7/e-64-o2397-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f95a/2959898/d926c49e7520/e-64-o2397-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f95a/2959898/8ec90704d4f7/e-64-o2397-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f95a/2959898/d926c49e7520/e-64-o2397-fig2.jpg

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本文引用的文献

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