1-chloro-2,2,3,3,4,4,5-heptafluorocyclopentane

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1-chloro-2,2,3,3,4,4,5-heptafluorocyclopentane
• 英文别名: 4-Chloro-1,1,2,2,3,3,5-heptafluorocyclopentane
• 化学式: C₅H₂ClF₇
• 分子量: 230.513
• InChiKey: AGZYSQAAMSSSJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-氯-2,3,3,4,4,5,5-七氟环戊烯 在 1% Rh/PAF 、 氢气 作用下， 反应 12.0h， 以79.8%的产率得到1,1,2,2,3,3,4-七氟环戊烷
  参考文献：
  名称：

  气相催化加氢脱卤合成氢氟环戊烷

  摘要：

  氢氟环戊烷（c5-HFC）是通过在各种贵金属催化剂上将氯氟环戊烯（c5-CFOs）气相加氢脱卤制得的。催化剂的活性遵循Pd＞ Pt＞ Rh＞ Ru的顺序，并且C（sp 2）原子上的卤素原子表现出比C（sp 3）原子上的卤素更强的反应性。本文提出了c5-CFO的气相加氢脱卤的可能机理。

  DOI：

  10.1016/j.jfluchem.2018.06.010

文献信息

• Preparation and application of porous calcium fluoride—a novel fluorinating reagent and support of catalyst
  作者：Heng-Dao Quan、Masanori Tamura、Ren-Xiao Gao、Akira Sekiya

  DOI：10.1016/s0022-1139(02)00073-8

  日期：2002.7

  A novel material, porous calcium fluoride (PCF) with more than 60 m2/g surface area, was prepared by the reaction of soda lime (SL) with anhydrous hydrogen fluoride (AHF), and its application as a fluorinating reagent and support of catalyst was investigated.

  苏打石灰（SL）与无水氟化氢（AHF）的反应制备了一种新型的多孔氟化钙（PCF），表面积大于60 m 2 / g，并作为氟化试剂和载体的应用。研究了催化剂。
• Synthesis of 1,1,2,2,3,3,4-heptafluorocyclopentane as a new generation of green solvent
  作者：Chengping Zhang、Feiyao Qing、Hengdao Quan、Akira Sekiya

  DOI：10.1016/j.jfluchem.2015.10.012

  日期：2016.1

  1,1,2,2,3,3,4-Heptafluorocyclopentane is a new generation of green solvent. It was synthesized by the liquid-phase fluorination reactions from hexachlorocyclopentadiene to 1-chloroheptafluoro-cyclopentene in the presence of KF in DMF and by the vapor-phase hydrogenation reaction from 1-chloroheptafluorocyclopentene to 1,1,2,2,3,3,4-heptafluorocyclopentane in the presence of Pd-based hydrogenation catalyst. Quantum chemical calculations for the isomers energies using Gaussian09 were conducted to verify the chemical equilibriums between isomers of trichloropentafluorocyclopentene or dichlorohexafluorocyclopentene in the fluorination reactions. Possible mechanisms for 1,1,2,2,3,3,4-heptafluorocyclopentane synthesis were proposed. (C) 2015 Elsevier B.V. All rights reserved.
• US6395700B1
  申请人：——

  公开号：US6395700B1

  公开（公告）日：2002-05-28
• Synthesis of hydrofluorocyclopentanes by vapor-phase catalytic hydrodehalogenation
  作者：Feiyao Qing、Chengping Zhang、Hengdao Quan

  DOI：10.1016/j.jfluchem.2018.06.010

  日期：2018.9

  Hydrofluorocyclopentanes (c5-HFCs) were prepared by gas-phase hydrodehalogenation of chlorofluorocyclopentenes (c5-CFOs) over various noble metals catalysts. The activity of the catalysts followed the order Pd > Pt > Rh > Ru, and the halogen atom on the C(sp2) atom exhibited stronger reactivity than the halogen on the C(sp3) atom. Possible mechanisms of the gas-phase hydrodehalogenation of c5-CFOs

  氢氟环戊烷（c5-HFC）是通过在各种贵金属催化剂上将氯氟环戊烯（c5-CFOs）气相加氢脱卤制得的。催化剂的活性遵循Pd＞ Pt＞ Rh＞ Ru的顺序，并且C（sp 2）原子上的卤素原子表现出比C（sp 3）原子上的卤素更强的反应性。本文提出了c5-CFO的气相加氢脱卤的可能机理。