2-(4-methoxyphenyl)-4-(4-nitrophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine | 1042441-86-0

• 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-(4-methoxyphenyl)-4-(4-nitrophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine
• CAS: 1042441-86-0
• 化学式: C₂₂H₁₈N₂O₃S
• 分子量: 390.463
• InChiKey: SNVLMPRKBWNJFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.96
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.73
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  (E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-2-propen-1-one 、 2-氨基苯硫醇 在 sodium dodecyl-sulfate 作用下， 以 水 为溶剂， 反应 10.0h， 以66%的产率得到2-(4-methoxyphenyl)-4-(4-nitrophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine
  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

• Green Protocol for Synthesis of 1,5-Benzodiazepines and 1,5-Benzothiazepines in the Presence of Nanocrystalline Aluminum Oxide
  作者：Rahim Hekmatshoar、Sodeh Sadjadi、Soudeh Shiri、Majid M. Heravi、Yahya S. Beheshtiha

  DOI：10.1080/00397910802657925

  日期：2009.6.23

  An efficient protocol associated with readily available starting materials, mild conditions, excellent yields, and a broad range of the products in synthetic chemistry was established for synthesis of 1,5-benzodiazepine and 1,5-benzothiazepine derivatives in the presence of a catalytic amount of nanocrystalline aluminum oxide in water.