2-(2-Nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine | 1042441-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 2-(2-Nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
• 英文别名: 2-(2-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
• CAS: 1042441-80-4
• 化学式: C₂₁H₁₆N₂O₂S
• 分子量: 360.436
• InChiKey: OWILFVRMFIQRST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one 、 2-氨基苯硫醇 在 sodium dodecyl-sulfate 作用下， 以 水 为溶剂， 反应 16.0h， 以72%的产率得到2-(2-Nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
  参考文献：
  名称：

  ‘On water’ synthesis of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines catalysed by sodium dodecyl sulfate (SDS)

  摘要：

  An efficient synthesis of 1,3-diaryl-2,3-dihydro-1,5-benzothiazepines has been developed by the reaction of various 1,3-diaryl-2-propenones with 2-aminothiophenol in water under neutral conditions catalysed by SDS. Excellent chemoselectivity was observed for substrates possessing halogen atoms or nitro/alkoxy/thioalkyl groups which did not undergo competitive aromatic nucleophilic substitution of the halogen atoms or the nitro group, reduction of the nitro or the a,p-unsaturated carbonyl group, or dealkylation of the alkoxy/thioalkoxy groups. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.146

文献信息

• ‘On water’ synthesis of 2,4-diaryl-2,3-dihydro-1,5-benzothiazepines catalysed by sodium dodecyl sulfate (SDS)
  作者：Gaurav Sharma、Raj Kumar、Asit K. Chakraborti

  DOI：10.1016/j.tetlet.2008.04.146

  日期：2008.6

  An efficient synthesis of 1,3-diaryl-2,3-dihydro-1,5-benzothiazepines has been developed by the reaction of various 1,3-diaryl-2-propenones with 2-aminothiophenol in water under neutral conditions catalysed by SDS. Excellent chemoselectivity was observed for substrates possessing halogen atoms or nitro/alkoxy/thioalkyl groups which did not undergo competitive aromatic nucleophilic substitution of the halogen atoms or the nitro group, reduction of the nitro or the a,p-unsaturated carbonyl group, or dealkylation of the alkoxy/thioalkoxy groups. (C) 2008 Elsevier Ltd. All rights reserved.