5,11,17-Tris(4-chlorophenyl)-3,9,15-trioxa-5,11,17-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-triene | 1353370-37-2

• 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: 5,11,17-Tris(4-chlorophenyl)-3,9,15-trioxa-5,11,17-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-triene
• 英文别名: 5,11,17-tris(4-chlorophenyl)-3,9,15-trioxa-5,11,17-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-triene
• CAS: 1353370-37-2
• 化学式: C₃₀H₂₄Cl₃N₃O₃
• 分子量: 580.898
• InChiKey: IQEFQUNMDUTOBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 间苯三酚 、 对氯苯胺 在 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以82%的产率得到5,11,17-Tris(4-chlorophenyl)-3,9,15-trioxa-5,11,17-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),8(13)-triene
  参考文献：
  名称：

  Facile and efficient synthesis of C3-symmetric benzoxazine: a novel tri-arm molecular scaffold

  摘要：

  Six novel C-3-symmetric benzoxazines (1a-f) were synthesized via a one-pot condensation, in which twelve covalent bonds were formed up to 96% yield. Two X-ray crystal structures confirmed their proposed conformations and showed their potential as a novel tri-arm molecular scaffold. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.162

文献信息

• Facile and efficient synthesis of C3-symmetric benzoxazine: a novel tri-arm molecular scaffold
  作者：Rajiv Singh、Matthew Schober、Xiaodong Hou、Alys Seay、Qianli Chu

  DOI：10.1016/j.tetlet.2011.10.162

  日期：2012.1

  Six novel C-3-symmetric benzoxazines (1a-f) were synthesized via a one-pot condensation, in which twelve covalent bonds were formed up to 96% yield. Two X-ray crystal structures confirmed their proposed conformations and showed their potential as a novel tri-arm molecular scaffold. (C) 2011 Elsevier Ltd. All rights reserved.