Ethyl 5-methyl-1-(4-methylanilino)-8-[(triphenyl-lambda5-phosphanylidene)amino]isoquinoline-3-carboxylate | 144735-36-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 5-methyl-1-(4-methylanilino)-8-[(triphenyl-lambda5-phosphanylidene)amino]isoquinoline-3-carboxylate
• 英文别名: ethyl 5-methyl-1-(4-methylanilino)-8-[(triphenyl-λ5-phosphanylidene)amino]isoquinoline-3-carboxylate
• CAS: 144735-36-4
• 化学式: C₃₈H₃₄N₃O₂P
• 分子量: 595.681
• InChiKey: YXQTXSNCGJPYSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 Ethyl 5-methyl-1-(4-methylanilino)-8-[(triphenyl-lambda5-phosphanylidene)amino]isoquinoline-3-carboxylate 以 甲苯 为溶剂， 反应 8.0h， 以68%的产率得到5-(ethoxycarbonyl)-3-(4-methylphenyl)-7-methyl-1H-pyrido<2,3,4-de>quinazoline-2-thione
  参考文献：
  名称：

  Reactivity and synthetic applications of bis(iminophosphoranes). One-pot preparation of pyrido[2,3,4-de]quinazolines and benzo[de][1,6]naphthyridines

  摘要：

  Aza-Wittig reaction of bis(iminophosphorane) 4 with 2 equiv of isocyanate leads directly to pyrido[2,3,4-de]quinazolines 5. Iminophosphoranes 8, available from 4 and 1 equiv of the appropriate isocyanate, react either with 1 equiv of isocyanate or ketene to give pyrido[2,3,4-de]quinazolines 9 or benzo[de][1,6]naphthyridines 10, respectively. Bis(iminophosphorane) 4 by sequential treatment with aldehydes and isocyanates yielded 2,3-dihydropyrido[2,3,4-de]quinazolines 17.

  DOI：

  10.1021/jo00051a007
• 作为产物：
  描述：

  ethyl 2-methyl-α,5-bis<(triphenylphosphoranylidene)amino>cinnamate 以 甲苯 、 苯 为溶剂， 反应 15.0h， 生成 Ethyl 5-methyl-1-(4-methylanilino)-8-[(triphenyl-lambda5-phosphanylidene)amino]isoquinoline-3-carboxylate
  参考文献：
  名称：

  Reactivity and synthetic applications of bis(iminophosphoranes). One-pot preparation of pyrido[2,3,4-de]quinazolines and benzo[de][1,6]naphthyridines

  摘要：

  Aza-Wittig reaction of bis(iminophosphorane) 4 with 2 equiv of isocyanate leads directly to pyrido[2,3,4-de]quinazolines 5. Iminophosphoranes 8, available from 4 and 1 equiv of the appropriate isocyanate, react either with 1 equiv of isocyanate or ketene to give pyrido[2,3,4-de]quinazolines 9 or benzo[de][1,6]naphthyridines 10, respectively. Bis(iminophosphorane) 4 by sequential treatment with aldehydes and isocyanates yielded 2,3-dihydropyrido[2,3,4-de]quinazolines 17.

  DOI：

  10.1021/jo00051a007

文献信息

• Reactivity and synthetic applications of bis(iminophosphoranes). One-pot preparation of pyrido[2,3,4-de]quinazolines and benzo[de][1,6]naphthyridines
  作者：Pedro Molina、Mateo Alajarin、Angel Vidal

  DOI：10.1021/jo00051a007

  日期：1992.12

  Aza-Wittig reaction of bis(iminophosphorane) 4 with 2 equiv of isocyanate leads directly to pyrido[2,3,4-de]quinazolines 5. Iminophosphoranes 8, available from 4 and 1 equiv of the appropriate isocyanate, react either with 1 equiv of isocyanate or ketene to give pyrido[2,3,4-de]quinazolines 9 or benzo[de][1,6]naphthyridines 10, respectively. Bis(iminophosphorane) 4 by sequential treatment with aldehydes and isocyanates yielded 2,3-dihydropyrido[2,3,4-de]quinazolines 17.