1-<2-cyano-1-(1'-hydroxy-1'-methylethyl)vinyl>-3-(2-imino-5,5-dimethyl-2,5-dihydro-4-furyl)benzimidazol-2-one

• 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-<2-cyano-1-(1'-hydroxy-1'-methylethyl)vinyl>-3-(2-imino-5,5-dimethyl-2,5-dihydro-4-furyl)benzimidazol-2-one
• 英文别名: (Z)-4-hydroxy-3-[3-(5-imino-2,2-dimethylfuran-3-yl)-2-oxobenzimidazol-1-yl]-4-methylpent-2-enenitrile
• 化学式: C₁₉H₂₀N₄O₃
• 分子量: 352.393
• InChiKey: XFVPPEQJVXDBPH-AJUKGGFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.57
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  104.03
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-羟基苯并咪唑 、 3-hydroxy-3-methyl-1-cyano-1-butyne 在 lithium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以87%的产率得到1-<2-cyano-1-(1'-hydroxy-1'-methylethyl)vinyl>-3-(2-imino-5,5-dimethyl-2,5-dihydro-4-furyl)benzimidazol-2-one
  参考文献：
  名称：

  Cyanoacetylenes in reaction with benzimidazol-2-one

  摘要：

  The reaction of 1-phenyl-2-cyanoacetylene and 4-hydroxy-4-methyl-2-pentynenitrile with benzimidazol-2-one was studied. The respective N,N-diadducts were obtained. It was shown that the addition of benzimidazol-2-one to the tertiary cyanoacetylenic alcohol catalyzed by bases is accompanied by intramolecular cyclization.

  DOI：

  10.1007/bf00866603

文献信息

• Cyanoacetylenes in reaction with benzimidazol-2-one
  作者：N. D. Abramova、L. V. Andriyankova、A. G. Mal'kina、Yu. M. Skvortsov

  DOI：10.1007/bf00866603

  日期：1992.6

  The reaction of 1-phenyl-2-cyanoacetylene and 4-hydroxy-4-methyl-2-pentynenitrile with benzimidazol-2-one was studied. The respective N,N-diadducts were obtained. It was shown that the addition of benzimidazol-2-one to the tertiary cyanoacetylenic alcohol catalyzed by bases is accompanied by intramolecular cyclization.