1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate

• 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: 1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate
• 英文别名: 2,2,2-Trichloro-1-[2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(phenyl)phosphoryl]ethanol
• 化学式: C₁₅H₁₀Cl₃F₁₂O₃P
• 分子量: 603.556
• InChiKey: QCFLZDGULVTERL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate 在 磷酸 作用下， 以 苯 为溶剂， 反应 3.0h， 以70%的产率得到1-(phenyl-1H,1H,7H-perfluoroheptyloxyphosphinoyl)-2,2,2-trichloroethyl hydrogen phosphonate
  参考文献：
  名称：

  Krutikov, V. I.; Aleinikov, S. F.; Gorokhova, I. A., Russian Journal of General Chemistry, 1994, vol. 64, # 8.1, p. 1145 - 1147

  摘要：

  DOI：
• 作为产物：
  描述：

  bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-methylphosphane 以 苯 为溶剂， 生成 1H,1H,7H-perfluoroheptyl 1-hydroxy-2,2,2-trichloroethyl(phenyl)phosphinate
  参考文献：
  名称：

  Polyfluoroalloxy phosphonic and phosphinic acid derivatives: I. 1-Hydroxy-2,2,2-trichloroethylphosphinates

  摘要：

  Polyfluoroalkyl esters of 1-hydroxy-2,2,2-trichloroethylphosphonic and aryl(alkyl-)phosphinic acids exhibited antienzyme activity towards esterases of animal and microbial origin. A good correlation is observed between high antiesterase activity of the target compounds and their physicochemical parameters, characterizing their structure.

  DOI：

  10.1134/s1070363210030096

文献信息

• Polyfluoroalkoxy phosphonic and phosphinic acid derivatives: II. Reversible esterase inhibitors
  作者：V. V. Krutikova、V. I. Krutikov、A. V. Erkin

  DOI：10.1134/s1070363210030102

  日期：2010.3

  Polyfluoroalkyl esters of phosphoric, alkylphosphonic and 1-hydroxypolyfluoroalkylphosphonic acids exhibited significant antiesterase activity against various esterases of animal and microbial origin. Moreover, with some compounds reversible inhibition of enzymes was observed due to the specific influence of hydrophobic fragments of the target products.
• Polyfluoroalloxy phosphonic and phosphinic acid derivatives: I. 1-Hydroxy-2,2,2-trichloroethylphosphinates
  作者：V. V. Krutikova、V. I. Krutikov、A. V. Erkin

  DOI：10.1134/s1070363210030096

  日期：2010.3

  Polyfluoroalkyl esters of 1-hydroxy-2,2,2-trichloroethylphosphonic and aryl(alkyl-)phosphinic acids exhibited antienzyme activity towards esterases of animal and microbial origin. A good correlation is observed between high antiesterase activity of the target compounds and their physicochemical parameters, characterizing their structure.
• Krutikov, V. I.; Aleinikov, S. F.; Gorokhova, I. A., Russian Journal of General Chemistry, 1994, vol. 64, # 8.1, p. 1145 - 1147
  作者：Krutikov, V. I.、Aleinikov, S. F.、Gorokhova, I. A.、Zolotukhina, M. M.

  DOI：——

  日期：——