3-(4-hydroxy-4-methyl-2-pentene-3-nitrile)benzoxazol-2-one | 129959-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 3-(4-hydroxy-4-methyl-2-pentene-3-nitrile)benzoxazol-2-one
• 英文别名: (Z)-4-hydroxy-4-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)pent-2-enenitrile
• CAS: 129959-42-8
• 化学式: C₁₃H₁₂N₂O₃
• 分子量: 244.25
• InChiKey: XAHHAUVMXBTGPM-XFFZJAGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-苯并唑啉酮 、 3-hydroxy-3-methyl-1-cyano-1-butyne 在 lithium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 14.0h， 以71%的产率得到3-(4-hydroxy-4-methyl-2-pentene-3-nitrile)benzoxazol-2-one
  参考文献：
  名称：

  Cyanoacetylenes in a reaction with benzoxazole-2-thione and benzoxazol-2-one

  摘要：

  The reaction of benzoxazole-2-thione and benzoxazol-2-one with substituted cyanoacetylenes was studied. 2-[(3-Phenyl-2-propenenitrile)thio] benzoxazole was obtained by the reaction of benzoxazole-2-thione with phenylcyanoacetylene. Benzoxazol-2-one with phenylcyanoacetylene and a tertiary cyanoacetylenic alcohol gave the corresponding N-adducts.

  DOI：

  10.1007/bf00962393

文献信息

• Cyanoacetylenes in a reaction with benzoxazole-2-thione and benzoxazol-2-one
  作者：L. V. Andriyankova、N. D. Abramova、�. I. Kositsyna

  DOI：10.1007/bf00962393

  日期：1990.6

  The reaction of benzoxazole-2-thione and benzoxazol-2-one with substituted cyanoacetylenes was studied. 2-[(3-Phenyl-2-propenenitrile)thio] benzoxazole was obtained by the reaction of benzoxazole-2-thione with phenylcyanoacetylene. Benzoxazol-2-one with phenylcyanoacetylene and a tertiary cyanoacetylenic alcohol gave the corresponding N-adducts.