8-chloro-4-(4-chlorophenyl)-4,5-dihydro-2-phenyl-3,1-benzoxazepine | 1313843-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 8-chloro-4-(4-chlorophenyl)-4,5-dihydro-2-phenyl-3,1-benzoxazepine
• 英文别名: 8-Chloro-4-(4-chlorophenyl)-2-phenyl-4,5-dihydro-3,1-benzoxazepine
• CAS: 1313843-82-1
• 化学式: C₂₁H₁₅Cl₂NO
• 分子量: 368.262
• InChiKey: TUZWTYNUNAHIBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  25
• 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：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯-2-硝基甲苯 在 5% Pd(II)/C(eggshell) 、 sodium methylate 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 8-chloro-4-(4-chlorophenyl)-4,5-dihydro-2-phenyl-3,1-benzoxazepine
  参考文献：
  名称：

  One-Pot Synthesis of 2-Substituted 4-Aryl-4,5-dihydro-3,1-benzoxazepines from 2-(2-Aminophenyl)-1-arylethanols via Dehydration of the Corresponding Amides

  摘要：

  AbstractAn efficient method for the preparation of 2‐substituted 4‐aryl‐4,5‐dihydro‐3,1‐benzoxazepine derivatives under mild conditions has been developed. The reaction of 2‐(2‐aminophenyl)ethanols 1 with acid chlorides in the presence of excess Et3N in THF at room temperature gave the corresponding N‐acylated intermediates 2, which were dehydrated by treatment with POCl3 to give 2‐substituted 4‐aryl‐4,5‐dihydro‐3,1‐benzoxazepines 3 in a one‐pot reaction.

  DOI：

  10.1002/hlca.201000421

文献信息

• One-Pot Synthesis of 2-Substituted 4-Aryl-4,5-dihydro-3,1-benzoxazepines from 2-(2-Aminophenyl)-1-arylethanols via Dehydration of the Corresponding Amides
  作者：Shuhei Fukamachi、Hisatoshi Konishi、Kazuhiro Kobayashi

  DOI：10.1002/hlca.201000421

  日期：2011.6

  AbstractAn efficient method for the preparation of 2‐substituted 4‐aryl‐4,5‐dihydro‐3,1‐benzoxazepine derivatives under mild conditions has been developed. The reaction of 2‐(2‐aminophenyl)ethanols 1 with acid chlorides in the presence of excess Et3N in THF at room temperature gave the corresponding N‐acylated intermediates 2, which were dehydrated by treatment with POCl3 to give 2‐substituted 4‐aryl‐4,5‐dihydro‐3,1‐benzoxazepines 3 in a one‐pot reaction.