N-[[3-methyl-1-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrazol-4-yl]methyl]-1-[4-nitro-2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methanamine | 141258-02-8

• 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: N-[[3-methyl-1-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrazol-4-yl]methyl]-1-[4-nitro-2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methanamine
• 英文别名: N-[[3-methyl-1-phenyl-5-[(triphenyl-λ5-phosphanylidene)amino]pyrazol-4-yl]methyl]-1-[4-nitro-2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]methanamine
• CAS: 141258-02-8
• 化学式: C₅₄H₄₆N₆O₂P₂
• 分子量: 872.946
• InChiKey: BQUVSNXHAQSKRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  64
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  对甲苯异氰酸酯 、 N-[[3-methyl-1-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrazol-4-yl]methyl]-1-[4-nitro-2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methanamine 以 苯 为溶剂， 反应 4.0h， 以77%的产率得到3-Methyl-8-nitro-1-phenyl-1,4,5,11-tetrahydro-1,2,4a,10,11-pentaaza-cyclopenta[b]anthracene
  参考文献：
  名称：

  Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines

  摘要：

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.

  DOI：

  10.1021/jo00059a015
• 作为产物：
  描述：

  2-叠氮-1-甲基-4-硝基苯 在 sodium tetrahydroborate 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 44.5h， 生成 N-[[3-methyl-1-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrazol-4-yl]methyl]-1-[4-nitro-2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]methanamine
  参考文献：
  名称：

  Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines

  摘要：

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.

  DOI：

  10.1021/jo00059a015

文献信息

• One-pot preparation of rigid bicyclic guanidines from bis(iminophosphoranes) by a consecutive five-step process
  作者：Pedro Molina、Mateo Alajarín、Angel Vidal

  DOI：10.1039/c39920000295

  日期：——

  A one-pot synthesis of bicyclic guandines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aromatic isocyanates, is described.

  本文介绍了一种基于二氢嘧啶环化新方法的双环鸟嘌呤单锅合成法，该方法涉及双（亚氨基磷烷）与芳香族异氰酸酯的反应。
• Synthetic applications of bis(iminophosphoranes). One-pot preparation of rigid bicyclic guanidines
  作者：Pedro Molina、Mateo Alajarin、Angel Vidal

  DOI：10.1021/jo00059a015

  日期：1993.3

  A one-pot synthesis of [6 + 6], [6 + 7], and [6 + 8] bicyclic guanidines based on a new method of dihydropyrimido annelation, which involves reaction of bis(iminophosphoranes) with aryl isocyanates or isothiocyanates is described. The method is also applicable for the preparation of chiral bicyclic guanidines.