2-chloro-3,3-diphenylacrylonitrile | 19937-33-8

• 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: 2-chloro-3,3-diphenylacrylonitrile
• 英文别名: 2-Chlor-3.3-diphenyl-acrylsaeurenitril；2-Chloro-3,3-diphenylprop-2-enenitrile；2-chloro-3,3-diphenylprop-2-enenitrile
• CAS: 19937-33-8
• 化学式: C₁₅H₁₀ClN
• 分子量: 239.704
• InChiKey: XPSQEOPQBJOJRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-chloro-3,3-diphenylacrylonitrile 在 盐酸 作用下， 生成 methyl 2-cyano-3,3-diphenylacrylate
  参考文献：
  名称：

  Koebrich,G. et al., Chemische Berichte, 1968, vol. 101, p. 2644 - 2659

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3-二苯基丙烯腈 在 (二氯碘)-苯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到2-chloro-3,3-diphenylacrylonitrile
  参考文献：
  名称：

  PhICl₂ and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds

  摘要：

  PhICl2 in wet DMF was found to form an efficient system for realizing difunctionalization of various alkenes and olefinic derivatives possessing a wide range of functional groups. This novel methodology provides convenient access to either regioselective chloroformyloxylated products or alpha-chlorinated olefinic products, depending on the type of structure of the original unsaturated starting material. The mechanism of the reaction is. proposed and discussed.

  DOI：

  10.1021/ol403321n

文献信息

• Koebrich,G. et al., Chemische Berichte, 1968, vol. 101, p. 2644 - 2659
  作者：Koebrich,G. et al.

  DOI：——

  日期：——
• PhICl₂ and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds
  作者：Le Liu、Daisy Zhang-Negrerie、Yunfei Du、Kang Zhao

  DOI：10.1021/ol403321n

  日期：2014.1.17

  PhICl2 in wet DMF was found to form an efficient system for realizing difunctionalization of various alkenes and olefinic derivatives possessing a wide range of functional groups. This novel methodology provides convenient access to either regioselective chloroformyloxylated products or alpha-chlorinated olefinic products, depending on the type of structure of the original unsaturated starting material. The mechanism of the reaction is. proposed and discussed.