diethyl (3,3-dicyano-1,1-difluoro-2-(4-methoxyphenyl)propyl)phosphonate | 1373611-35-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: diethyl (3,3-dicyano-1,1-difluoro-2-(4-methoxyphenyl)propyl)phosphonate
• 英文别名: 2-[2-Diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethyl]propanedinitrile
• CAS: 1373611-35-8
• 化学式: C₁₆H₁₉F₂N₂O₄P
• 分子量: 372.308
• InChiKey: UYBHPOORMAFCIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  二氟甲基膦酸二乙酯 、 (4-甲氧基苄烯)丙二腈 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 1.75h， 以96%的产率得到diethyl (3,3-dicyano-1,1-difluoro-2-(4-methoxyphenyl)propyl)phosphonate
  参考文献：
  名称：

  Nucleophilic additions of [(diethoxyphosphoryl)difluoromethyl]lithium to α,β-unsaturated compounds

  摘要：

  The presence of HMPA leads to an increase of 1,4- versus 1,2-additions of [(diethoxyphosphoryl)difluoromethyl]lithium onto alpha,beta-unsaturated ketones and provides products of conjugated addition in moderate to good yields. In the absence of HMPA, benzylidine or alkylidine 1,3-diones, malononitriles or malonates as well as nitroalkenes and other Michael acceptors give products of 1,4-addition in good to high yields. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.02.003

文献信息

• Nucleophilic additions of [(diethoxyphosphoryl)difluoromethyl]lithium to α,β-unsaturated compounds
  作者：Prabhakar Cherkupally、Petr Beier

  DOI：10.1016/j.jfluchem.2012.02.003

  日期：2012.5

  The presence of HMPA leads to an increase of 1,4- versus 1,2-additions of [(diethoxyphosphoryl)difluoromethyl]lithium onto alpha,beta-unsaturated ketones and provides products of conjugated addition in moderate to good yields. In the absence of HMPA, benzylidine or alkylidine 1,3-diones, malononitriles or malonates as well as nitroalkenes and other Michael acceptors give products of 1,4-addition in good to high yields. (c) 2012 Elsevier B.V. All rights reserved.