2r-Carbamoyl-3t-<4-chlor-phenyl>-croton-saeure-nitril | 19882-42-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2r-Carbamoyl-3t-<4-chlor-phenyl>-croton-saeure-nitril
• 英文别名: α-Cyan-β-methyl-trans-p-chlor-zimtsaeureamid；2r-Carbamoyl-3t-(4-chlor-phenyl)-croton-saeure-nitril；(E)-3-(4-chlorophenyl)-2-cyanobut-2-enamide
• CAS: 19882-42-9
• 化学式: C₁₁H₉ClN₂O
• 分子量: 220.658
• InChiKey: JCGYRUPOGRPWKR-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-[1-(4-氯苯基)亚乙基]丙二腈 在 copper(II) acetate monohydrate 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 12.0h， 以46%的产率得到2r-Carbamoyl-3t-<4-chlor-phenyl>-croton-saeure-nitril
  参考文献：
  名称：

  Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides

  摘要：

  A facile and efficient route for the homogeneous and highly stereoselective monohydration of substituted methylenemalononitriles to (E)-2-cyanoacrylamides catalyzed by copper(II) acetate monohydrate in acetic acid containing 2% water is described, and a mechanism is proposed. The protocol has proved to be suitable for the monohydration of dicyanobenzenes and 2-substituted malononitriles.

  DOI：

  10.1021/jo401997v

文献信息

• Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides
  作者：Xiaoqing Xin、Dexuan Xiang、Jiming Yang、Qian Zhang、Fenguo Zhou、Dewen Dong

  DOI：10.1021/jo401997v

  日期：2013.12.6

  A facile and efficient route for the homogeneous and highly stereoselective monohydration of substituted methylenemalononitriles to (E)-2-cyanoacrylamides catalyzed by copper(II) acetate monohydrate in acetic acid containing 2% water is described, and a mechanism is proposed. The protocol has proved to be suitable for the monohydration of dicyanobenzenes and 2-substituted malononitriles.