N-[1-phenyl-2-(3-phenyl-5-(4-tolyl)-3H-[1,3,4]thiadiazol-2-ylidene)-ethylidene]-benzene-1,2-diamine

• 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-[1-phenyl-2-(3-phenyl-5-(4-tolyl)-3H-[1,3,4]thiadiazol-2-ylidene)-ethylidene]-benzene-1,2-diamine
• 英文别名: 2-[[2-[5-(4-Methylphenyl)-3-phenyl-1,3,4-thiadiazol-2-ylidene]-1-phenylethylidene]amino]aniline；2-[[2-[5-(4-methylphenyl)-3-phenyl-1,3,4-thiadiazol-2-ylidene]-1-phenylethylidene]amino]aniline
• 化学式: C₂₉H₂₄N₄S
• 分子量: 460.602
• InChiKey: APEQXFDZVRQRLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  79.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione 、 p-toluoyl chloride phenylhydrazone 在 三乙胺 作用下， 以 苯 为溶剂， 反应 48.0h， 以90%的产率得到N-[1-phenyl-2-(3-phenyl-5-(4-tolyl)-3H-[1,3,4]thiadiazol-2-ylidene)-ethylidene]-benzene-1,2-diamine
  参考文献：
  名称：

  Peri and Regioselective Synthesis of New Heterocyclic Compounds from 1,5-Benzodiazepines

  摘要：

  Condensation of nitrilimines with 1,5-benzodiazepines was achieved in a one-pot procedure, to give a variety of new heterocyclic compounds. This reaction was found to be completely peri and regioselective. The new structures were elucidated by spectral methods and confirmed by X-ray crystallographic analysis.

  DOI：

  10.1081/scc-120015555

文献信息

• Peri and Regioselective Synthesis of New Heterocyclic Compounds from 1,5-Benzodiazepines
  作者：S. Elhazazi、A. Baouid、A. Hasnaoui、P. Compain

  DOI：10.1081/scc-120015555

  日期：2003.3

  Condensation of nitrilimines with 1,5-benzodiazepines was achieved in a one-pot procedure, to give a variety of new heterocyclic compounds. This reaction was found to be completely peri and regioselective. The new structures were elucidated by spectral methods and confirmed by X-ray crystallographic analysis.