2-氰基-3-(2-氟苯基)丙酸甲酯 | 67571-38-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氰基-3-(2-氟苯基)丙酸甲酯
• 英文名称: methyl 2-cyano-3-(2-fluorophenyl)propanoate
• CAS: 67571-38-4
• 化学式: C₁₁H₁₀FNO₂
• 分子量: 207.204
• InChiKey: SRPVOGCOJSGGBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氟苯甲醛 、 氰乙酸甲酯 在 dirhodium tetraacetate 、 一氧化碳 作用下， 以 甲醇 为溶剂， 反应 44.0h， 以74%的产率得到2-氰基-3-(2-氟苯基)丙酸甲酯
  参考文献：
  名称：

  Atom- and Step-Economical Preparation of Reduced Knoevenagel Adducts Using CO as a Deoxygenative Agent

  摘要：

  A highly efficient one-step Rh-catalyzed preparation of reduced Knoevenagel adducts of various aldehydes and ketones with active methylene compounds has been developed. The protocol does not require an external hydrogen source and employs carbon monoxide as a deoxygenative agent. The use of malonic acid or cyanoacetamide enabled efficient formal deoxygenative addition of methyl acetate or acetonitrile to aldehydes. The developed methodology was applied to the synthesis of the precursors of biomedically important compounds.

  DOI：

  10.1021/ol502424t

文献信息

• Atom- and Step-Economical Preparation of Reduced Knoevenagel Adducts Using CO as a Deoxygenative Agent
  作者：Pavel N. Kolesnikov、Dmitry L. Usanov、Evgeniya A. Barablina、Victor I. Maleev、Denis Chusov

  DOI：10.1021/ol502424t

  日期：2014.10.3

  A highly efficient one-step Rh-catalyzed preparation of reduced Knoevenagel adducts of various aldehydes and ketones with active methylene compounds has been developed. The protocol does not require an external hydrogen source and employs carbon monoxide as a deoxygenative agent. The use of malonic acid or cyanoacetamide enabled efficient formal deoxygenative addition of methyl acetate or acetonitrile to aldehydes. The developed methodology was applied to the synthesis of the precursors of biomedically important compounds.