2-(4'-chlorophenyl)-4,5-dimethyl-1,2,3-triazole | 90799-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4'-chlorophenyl)-4,5-dimethyl-1,2,3-triazole
• 英文别名: 2-<4-Chlor-phenyl>-4,5-dimethyl-1,2,3-triazol；2-(4-chloro-phenyl)-4,5-dimethyl-2H-[1,2,3]triazole；2-(4-Chlor-phenyl)-4,5-dimethyl-2H-[1,2,3]triazol；2-(4-Chlorophenyl)-4,5-dimethyl-2H-1,2,3-triazole；2-(4-chlorophenyl)-4,5-dimethyltriazole
• CAS: 90799-28-3
• 化学式: C₁₀H₁₀ClN₃
• 分子量: 207.662
• InChiKey: KDICQUAEFFPDTB-UHFFFAOYSA-N

物化性质

• 沸点：
  346.1±44.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4'-chlorophenyl)-4,5-dimethyl-1,2,3-triazole 、 chromium(lll) acetate 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Ponzio, Journal fur praktische Chemie (Leipzig 1954), 1898, vol. <2>57, p. 165,169,171

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯苯肼 在 乙醇 、 氯仿 、 五氯化磷 作用下， 生成 2-(4'-chlorophenyl)-4,5-dimethyl-1,2,3-triazole
  参考文献：
  名称：

  Ponzio, Gazzetta Chimica Italiana, 1899, vol. 29 I, p. 283

  摘要：

  DOI：

文献信息

• Ponzio, Journal fur praktische Chemie (Leipzig 1954), 1872, vol. <2>5, p. 169
  作者：Ponzio

  DOI：——

  日期：——
• Ponzio, Gazzetta Chimica Italiana, 1908, vol. 38 II, p. 524
  作者：Ponzio

  DOI：——

  日期：——
• 1,2,3-Triazol-1-imines. 1. The synthesis and lead tetraacetate oxidation of biacetyl benzoylhydrazone arylhydrazones to the novel 2-aryl-N-benzoyl-4,5-dimethyl-1,2,3-triazol-1-imines
  作者：C. P. Hadjiantoniou-Maroulis、A. J. Maroulis、A. Terzis、D. Mentzafos

  DOI：10.1021/jo00034a013

  日期：1992.4

  The synthesis and the Pb(OAc)4 oxidation of the mixed bishydrazones of biacetyl 7 was studied. The formation of the novel N-benzoyl-1,2,3-triazol-1-imines 9 from the oxidation of 7 provided support to the proposed in the past mechanism for the oxidation of bis-aroylhydrazones of alpha-dicarbonyl compounds 4. Thermolysis and photolysis of 9a in DMSO was carried out. The results suggested that benzoylnitrene was formed in the photochemical reaction, and therefore compounds such as 9 could serve as non-azide aroyl nitrene precursors. For 9a the results of the X-ray analysis were correlated with charge densities and bond orders gleaned by the MNDO method. Product 9d was alternatively synthesized by the addition of photochemically generated benzoylnitrene to the 1,2,3-triazole 21.