[3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-difluoro-thioacetic acid S-pyridin-2-yl ester | 380239-48-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-difluoro-thioacetic acid S-pyridin-2-yl ester
• 英文别名: S-pyridin-2-yl 2-[3-(3-chloro-1,1,2,2,3,3-hexafluoropropoxy)-1,1,2,2,3,3-hexafluoropropoxy]-2,2-difluoroethanethioate
• CAS: 380239-48-5
• 化学式: C₁₃H₄ClF₁₄NO₃S
• 分子量: 555.676
• InChiKey: FQCNFUPABPUEGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  73.7
• 氢给体数：
  0
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  [3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-difluoro-thioacetic acid S-pyridin-2-yl ester 在 sodium tetrahydroborate 、 甲基氯化镁 作用下， 以 甲醇 、 甲苯 、 乙腈 为溶剂， 生成 2-[3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-2,2-difluoro-1-(1H-pyrrol-2-yl)-ethanol
  参考文献：
  名称：

  Synthesis of a novel porphyrin bearing chloroper-fluoropolyether moieties with very high solubility in supercritical CO2

  摘要：

  A new porphyrin bearing chloroper-fluoropolyether substituents at the meso positions was prepared in five steps starting from chloroper-fluoropolyether carboxylic acid. Metallation of this porphyrin was accomplished with cobalt and zinc. Both the free base and its complex with zinc are highly soluble in supercritical CO2 under very mild conditions (40 degreesC and 20 MPa) thus allowing, in principle, homogeneous catalytic processes to be performed in this non-conventional reaction medium. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01442-3
• 作为产物：
  描述：

  2,2'-二硫二吡啶 、 [3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-difluoro-acetic acid 在 三苯基膦 作用下， 以 乙腈 为溶剂， 以85%的产率得到[3-(3-Chloro-1,1,2,2,3,3-hexafluoro-propoxy)-1,1,2,2,3,3-hexafluoro-propoxy]-difluoro-thioacetic acid S-pyridin-2-yl ester
  参考文献：
  名称：

  Synthesis of a novel porphyrin bearing chloroper-fluoropolyether moieties with very high solubility in supercritical CO2

  摘要：

  A new porphyrin bearing chloroper-fluoropolyether substituents at the meso positions was prepared in five steps starting from chloroper-fluoropolyether carboxylic acid. Metallation of this porphyrin was accomplished with cobalt and zinc. Both the free base and its complex with zinc are highly soluble in supercritical CO2 under very mild conditions (40 degreesC and 20 MPa) thus allowing, in principle, homogeneous catalytic processes to be performed in this non-conventional reaction medium. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01442-3

文献信息

• Synthesis of a novel porphyrin bearing chloroper-fluoropolyether moieties with very high solubility in supercritical CO2
  作者：Sandro Campestrini、Giulio Lora、Umberto Tonellato

  DOI：10.1016/s0040-4039(01)01442-3

  日期：2001.10

  A new porphyrin bearing chloroper-fluoropolyether substituents at the meso positions was prepared in five steps starting from chloroper-fluoropolyether carboxylic acid. Metallation of this porphyrin was accomplished with cobalt and zinc. Both the free base and its complex with zinc are highly soluble in supercritical CO2 under very mild conditions (40 degreesC and 20 MPa) thus allowing, in principle, homogeneous catalytic processes to be performed in this non-conventional reaction medium. (C) 2001 Elsevier Science Ltd. All rights reserved.