4-(2-hydroxypent-4-enyl)benzonitrile | 1417786-53-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-hydroxypent-4-enyl)benzonitrile
• 英文别名: 4-(2-Hydroxypent-4-enyl)benzonitrile
• CAS: 1417786-53-8
• 化学式: C₁₂H₁₃NO
• 分子量: 187.241
• InChiKey: RFPRVUCRGCDCRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(2-硝基乙烯基)苯甲腈 、 3-溴丙烯 在 盐酸 、 tin 、 水 作用下， 反应 1.5h， 以68%的产率得到4-(2-hydroxypent-4-enyl)benzonitrile
  参考文献：
  名称：

  Nitroalkenes as Carbonyl Surrogates in Arylmethyl-homoallylic Alcohol Forming One-Pot Allylation Reactions in Water

  摘要：

  A simple and practical approach has been developed for conducting direct, homoallylic alcohol forming allylation reactions of nitroalkenes in water. Employing the new method, various arylmethyl-homoallylic alcohols can be produced from the corresponding, readily prepared beta-nitrostyrenes.

  DOI：

  10.1021/jo302572s

文献信息

• Nitroalkenes as Carbonyl Surrogates in Arylmethyl-homoallylic Alcohol Forming One-Pot Allylation Reactions in Water
  作者：Mei-Huey Lin、Wei-Cheng Lin、Han-Jun Liu、Tsung-Hsun Chuang

  DOI：10.1021/jo302572s

  日期：2013.2.1

  A simple and practical approach has been developed for conducting direct, homoallylic alcohol forming allylation reactions of nitroalkenes in water. Employing the new method, various arylmethyl-homoallylic alcohols can be produced from the corresponding, readily prepared beta-nitrostyrenes.