7-(4-Methoxy-phenyl)-9H-6-oxa-5,8-diaza-benzocycloheptene-5,8-dicarboxylic acid bis-phenylamide | 819072-87-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-(4-Methoxy-phenyl)-9H-6-oxa-5,8-diaza-benzocycloheptene-5,8-dicarboxylic acid bis-phenylamide
• 英文别名: 3-(4-methoxyphenyl)-1-N,4-N-diphenyl-3,5-dihydro-2,1,4-benzoxadiazepine-1,4-dicarboxamide
• CAS: 819072-87-2
• 化学式: C₂₉H₂₆N₄O₄
• 分子量: 494.55
• InChiKey: FXQPMDFMIOWCLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(4-Methoxy-phenyl)-9H-6-oxa-5,8-diaza-benzocycloheptene-5,8-dicarboxylic acid bis-phenylamide 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以100%的产率得到
  参考文献：
  名称：

  Synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolin-1-ols and their conversion to 7-aryl-9H-6-oxa-5,8-diaza-benzocycloheptenes

  摘要：

  2-Aminobenzylamine was reacted with corresponding aromatic or heteroaromatic aldehydes to give 1,2,3,4-tetrahydroquinazolines 1 the oxidation of which with H2O2-tungstate in methanol led to the formation of the corresponding 1,2,3,4-tetrahydroquinazolin-1-ols 2. A one-pot procedure involving the treatment of the in situ formed quinazoline 1 with H2O-tungstate again led to the formation of 2. Compounds 2 react with 2equiv of aryl isocyanate in toluene at room temperature to produce compounds 3. The probable mechanism of the ring-expanding carbamoylation of quinazolin-1-ols 2 to 6-oxa-5,8-diaza-benzocycloheptenes 3 is discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.062
• 作为产物：
  描述：

  2-氨基苄胺 在 sodium tungstate 、 双氧水 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 21.0h， 生成 7-(4-Methoxy-phenyl)-9H-6-oxa-5,8-diaza-benzocycloheptene-5,8-dicarboxylic acid bis-phenylamide
  参考文献：
  名称：

  Synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolin-1-ols and their conversion to 7-aryl-9H-6-oxa-5,8-diaza-benzocycloheptenes

  摘要：

  2-Aminobenzylamine was reacted with corresponding aromatic or heteroaromatic aldehydes to give 1,2,3,4-tetrahydroquinazolines 1 the oxidation of which with H2O2-tungstate in methanol led to the formation of the corresponding 1,2,3,4-tetrahydroquinazolin-1-ols 2. A one-pot procedure involving the treatment of the in situ formed quinazoline 1 with H2O-tungstate again led to the formation of 2. Compounds 2 react with 2equiv of aryl isocyanate in toluene at room temperature to produce compounds 3. The probable mechanism of the ring-expanding carbamoylation of quinazolin-1-ols 2 to 6-oxa-5,8-diaza-benzocycloheptenes 3 is discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.062