2,2,2-Trichloro-1-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(methyl)phosphoryl]ethanol | 1235818-84-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 2,2,2-Trichloro-1-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(methyl)phosphoryl]ethanol
• CAS: 1235818-84-4
• 化学式: C₁₂H₈Cl₃F₁₆O₃P
• 分子量: 641.501
• InChiKey: FYSSODWKIVQNFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  水合氯醛 、 di(1,1,9-trihydrohexadecafluorononyl) methylphosphonite 以 苯 为溶剂， 反应 10.0h， 以91%的产率得到2,2,2-Trichloro-1-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(methyl)phosphoryl]ethanol
  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

• 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.