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4-苯基-1-(2-丙炔-1-基)-1H-1,5-苯并二氮杂䓬-2(3H)-酮

4-Phenyl-1-(prop-2-yn-1-yl)-1H-1,5-benzodiazepin-2(3H)-one.

作者信息

Loughzail Mohamed, Fernandes José A, Baouid Abdesselam, Essaber Mohamed, Cavaleiro José A S, Almeida Paz Filipe A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2075-6. doi: 10.1107/S1600536811027371. Epub 2011 Jul 23.

DOI:10.1107/S1600536811027371
PMID:22091098
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213519/
Abstract

4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one reacts in the pres-ence of a concentrated aqueous solution of sodium hydroxide and a quaternary ammonium salt (as catalyst) in benzene (phase transfer catalysis) with propargyl bromide, affording the title benzodiazepine derivative, C(18)H(14)N(2)O. In the mol-ecule, the mean plane of the propargyl substituent is almost perpendicular with that of the amide group [dihedral angle = 87.81 (8)°]. In the crystal, the molecules are linked by C-H⋯O and C-H⋯N inter-actions.

摘要

4-苯基-1H-1,5-苯并二氮杂䓬-2(3H)-酮在氢氧化钠浓水溶液和季铵盐（作为催化剂）存在下，于苯中（相转移催化）与炔丙基溴反应，得到标题苯并二氮杂䓬衍生物C(18)H(14)N(2)O。在分子中，炔丙基取代基的平均平面与酰胺基团的平均平面几乎垂直[二面角 = 87.81 (8)°]。在晶体中，分子通过C-H⋯O和C-H⋯N相互作用连接。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5967/3213519/5737e3007f40/e-67-o2075-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5967/3213519/d02c4cbd7487/e-67-o2075-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5967/3213519/5737e3007f40/e-67-o2075-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5967/3213519/d02c4cbd7487/e-67-o2075-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5967/3213519/5737e3007f40/e-67-o2075-fig2.jpg

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