1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl chloride | 1422423-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl chloride
• CAS: 1422423-67-3
• 化学式: C₉H₅ClN₄O₃
• 分子量: 252.617
• InChiKey: DHZDGGDCZFMBDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.92
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-癸氧基苯酚 、 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以76%的产率得到4-(decyloxy)phenyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
  参考文献：
  名称：

  Synthesis and mesomorphic properties of novel [1,2,3]-triazole mesogenic based compounds

  摘要：

  A series of five-membered heterocyclic 1,2,3-triazole derivatives with different substituents in N1 position was synthesized. The heterocyclic moiety was connected through an ester function to a p-decyloxyphenyl or p-decyloxybiphenyl tails Polarized microscopy studies, X-ray scattering and differential scanning calorimetry (DSC) analysis revealed that the target compounds exhibit enantiotropic liquid crystalline properties. Their mesomorphic behavior is closely related to the nature of the substituent X present in N1 position of the heterocycle. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.09.020
• 作为产物：
  描述：

  1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid 在 氯化亚砜 作用下， 生成 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbonyl chloride
  参考文献：
  名称：

  Synthesis and mesomorphic properties of novel [1,2,3]-triazole mesogenic based compounds

  摘要：

  A series of five-membered heterocyclic 1,2,3-triazole derivatives with different substituents in N1 position was synthesized. The heterocyclic moiety was connected through an ester function to a p-decyloxyphenyl or p-decyloxybiphenyl tails Polarized microscopy studies, X-ray scattering and differential scanning calorimetry (DSC) analysis revealed that the target compounds exhibit enantiotropic liquid crystalline properties. Their mesomorphic behavior is closely related to the nature of the substituent X present in N1 position of the heterocycle. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.09.020