4,4',4''-[benzene-1,3,5-triyltris(1H-tetrazol-5,1-diyl)]tris[N-(4-methylphenyl)benzamide] | 1117810-38-4

• 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: 4,4',4''-[benzene-1,3,5-triyltris(1H-tetrazol-5,1-diyl)]tris[N-(4-methylphenyl)benzamide]
• 英文别名: 4-[5-[3,5-bis[1-[4-[(4-methylphenyl)carbamoyl]phenyl]tetrazol-5-yl]phenyl]tetrazol-1-yl]-N-(4-methylphenyl)benzamide
• CAS: 1117810-38-4
• 化学式: C₅₁H₃₉N₁₅O₃
• 分子量: 909.969
• InChiKey: FFDQUJVPEFIQEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  218
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  4,4',4''-[benzene-1,3,5-triyltris(1H-tetrazol-5,1-diyl)]tris[N-(4-methylphenyl)benzamide] 在 氯化亚砜 作用下， 生成
  参考文献：
  名称：

  Tetrazoles: LII. Synthesis of functionally substituted tetrazoles from benzene-1,3,5-tricarboxylic acid derivatives

  摘要：

  N,N',N"-Triarylbenzene-1,3,5-tricarboximidoyl chlorides reacted with sodium azide under conditions of phase-transfer catalysis to give functionally Substituted tetrazoles whose Subsequent functionalization led to complex heterocyclic structures which may be regarded as first-generation tetrazole-containing dendrimers.

  DOI：

  10.1134/s1070428008040180
• 作为产物：
  描述：

  4,4',4''-[benzene-1,3,5-triyltris(1H-tetrazol-5,1-diyl)]tribenzoyl trichloride 、 乙烷,三氯氟- 在 吡啶 作用下， 反应 3.0h， 以64%的产率得到4,4',4''-[benzene-1,3,5-triyltris(1H-tetrazol-5,1-diyl)]tris[N-(4-methylphenyl)benzamide]
  参考文献：
  名称：

  Tetrazoles: LII. Synthesis of functionally substituted tetrazoles from benzene-1,3,5-tricarboxylic acid derivatives

  摘要：

  N,N',N"-Triarylbenzene-1,3,5-tricarboximidoyl chlorides reacted with sodium azide under conditions of phase-transfer catalysis to give functionally Substituted tetrazoles whose Subsequent functionalization led to complex heterocyclic structures which may be regarded as first-generation tetrazole-containing dendrimers.

  DOI：

  10.1134/s1070428008040180