1-Methyl-2-(2-nitro-2-phenyl-vinyl)-benzimidazol | 2154-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-Methyl-2-(2-nitro-2-phenyl-vinyl)-benzimidazol
• 英文别名: 1-methyl-2-(2-nitro-2-phenyl-vinyl)-1H-benzoimidazole；1-Methyl-2-(2-nitro-2-phenylethenyl)-1h-benzimidazole；1-methyl-2-(2-nitro-2-phenylethenyl)benzimidazole
• CAS: 2154-48-5
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: RLZULIPDJAWYOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methyl-2-(2-nitro-2-phenyl-vinyl)-benzimidazol 以 甲醇 为溶剂， 以83%的产率得到1-methyl-2-(2-nitro-2-phenylethenyl)-1H-benzimidazole
  参考文献：
  名称：

  Polarity and structure of 2-(1-methylbenzimidazol-2-yl)-1-phenyl- and -1,2-diphenyl-1-nitroethenes

  摘要：

  Polarity of 2-(1-methylbenzimidazol-2-yl)-1-phenyl- and -1,2-diphenyl-1-nitroethenes was determined and their structure was studied using electronic and H-1, C-13 NMR spectroscopy, dipole moments measuring, XRD analysis, and quantum-chemical calculations. It was shown that the 2-(1-methylbenzimidazol-2-yl)-1-nitro-1-phenylethene has Z-configuration both in crystal and solution. The nitro group and benzimidazole substituent in its molecule are removed from the plane of the double bond. For 1,2-diphenyl-1-nitroethene E-structure is typical.

  DOI：

  10.1134/s1070363212050192

文献信息

• Synthesis and structure of nitroethylpyrrolidone carboxylates
  作者：A. A. Nikonorov、E. S. Ostroglyadov、O. S. Vasil’ev、V. M. Berestovitskaya

  DOI：10.1134/s1070363211080172

  日期：2011.8

  3-Methoxycarbonyl-4-phenyl- and 4-(3-pyridyl)-2-pyrrolidones react with 2-aryl(heteryl)-1-nitroethenes to form C(3)-adducts as one or two diastereomers. Their structure was characterized by the IR, (1)H, and (13)C NMR spectroscopy, using the two-dimensional correlation spectroscopy.
• Simonov,A.M.; Dalgatov,D.D., Journal of General Chemistry of the USSR, <hi>1964</hi>, vol. 34, p. 3088 - 3090
  作者：Simonov,A.M.、Dalgatov,D.D.

  DOI：——

  日期：——