isopropyl (ethyl)phenylphosphinate | 13336-71-5

• 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: isopropyl (ethyl)phenylphosphinate
• 英文别名: Ethyl-phenyl-phosphinsaeure-isopropylester；[Ethyl(propan-2-yloxy)phosphoryl]benzene
• CAS: 13336-71-5
• 化学式: C₁₁H₁₇O₂P
• 分子量: 212.229
• InChiKey: YPRXOXWMFJMFAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二异丙基苯基磷酸酯 、 二氟溴乙酸乙酯 反应 4.0h， 以44.8%的产率得到diisopropyl phenylphosphonate
  参考文献：
  名称：

  Anomalous Reaction of Ethyl Bromofluoro- and Difluoro-Acetates with Dialkylphosphonites

  摘要：

  The Michaelis-Arbuzov reaction of ethyl alpha-bromo-alpha-fluoro- and alpha,alpha-difluoro-acetates with dialkyl phenylphosphonites leads to the formation of unusual products including a fluorophosphinate. The reaction of ethyl bromofluoracetate with diisopropyl- and dimethyl- phenylphosphonites furnishes a complex mixture of eight and five compounds respectively. Five different compounds are obtained when ethyl bromodifluoroacetate is reacted with diisopropyl phenylphosphonite. Dimethyl phenylphosphonite yields three compounds when heated with bromochloromethane. The probable mechanism of formation of the compounds and their mass spectral characterization using GC-MS, tandem MS-MS and DART(TM) techniques are presented in this paper.

  DOI：

  10.1080/10426500801968110

文献信息

• Anomalous Reaction of Ethyl Bromofluoro- and Difluoro-Acetates with Dialkylphosphonites
  作者：H. D. Durst、D. K. Rohrbaugh、P. Smith、J. M. Nilles、T. Connell、J. A. Laramee、S. Munavalli

  DOI：10.1080/10426500801968110

  日期：2008.10.7

  The Michaelis-Arbuzov reaction of ethyl alpha-bromo-alpha-fluoro- and alpha,alpha-difluoro-acetates with dialkyl phenylphosphonites leads to the formation of unusual products including a fluorophosphinate. The reaction of ethyl bromofluoracetate with diisopropyl- and dimethyl- phenylphosphonites furnishes a complex mixture of eight and five compounds respectively. Five different compounds are obtained when ethyl bromodifluoroacetate is reacted with diisopropyl phenylphosphonite. Dimethyl phenylphosphonite yields three compounds when heated with bromochloromethane. The probable mechanism of formation of the compounds and their mass spectral characterization using GC-MS, tandem MS-MS and DART(TM) techniques are presented in this paper.