3-氯-1,1,1-三氟丁-3-烯 | 1227064-96-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 3-氯-1,1,1-三氟丁-3-烯
• 英文名称: 3-chloro-1,1,1-trifluorobut-3-ene
• 英文别名: 2-Chloro-4,4,4-trifluorobut-1-ene
• CAS: 1227064-96-1
• 化学式: C₄H₄ClF₃
• 分子量: 144.524
• InChiKey: VNDRCGKBRZQYFU-UHFFFAOYSA-N

物化性质

• 沸点：
  25.9±35.0 °C(Predicted)
• 密度：
  1.232±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-chloro-1,1,1,3-tetrafluorobutane 在 aluminum(III) fluoride 作用下， 反应 -5.0h， 生成 3-氯-1,1,1-三氟丁-3-烯
  参考文献：
  名称：

  Highly selective metal fluoride catalysts for the dehydrohalogenation of 3-chloro-1,1,1,3-tetrafluorobutane

  摘要：

  For the first time, dehydrochlorination and dehydrofluorination reactions are studied on the same substrate, 3-chloro-1,1,1,3-tetrafluorobutane, employing nanoscopic metal fluorides AlF3, MgF2, CaF2, SrF2, and BaF2 as catalysts that are prepared according the fluorolytic sol-gel synthesis. AlF3 is exclusively selective toward dehydrofluorination, whereas BaF2 is 100% selective toward dehydrochlorination. The acid-base character of the catalysts is investigated and, as a result, mechanistic proposals for the dehydrofluorination and the dehydrochlorination are given. Thus, at high conversion level, selective catalysts for both dehydrofluorination and dehydrochlorination on the same substrate have been developed. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2011.06.013

文献信息

• [EN] PROCESS FOR THE PREPARATION OF CHLOROFLUOROALKENES<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE CHLOROFLUOROALCÈNES
  申请人：SOLVAY FLUOR GMBH

  公开号：WO2010060868A1

  公开（公告）日：2010-06-03

  Hydrochlorofluoroalkenes can be produced by dehydrofluorination of hydrochlorofluoroalkanes over X-ray amorphous high surface metal fluoride or X-ray amorphous or weakly crystalline metal oxide fluoride wherein the metal is selected from the 2nd, 3rd or 4th main group or any subgroup of the periodic system of elements. High-surface aluminium fluoride or aluminium oxide fluoride are especially suitable as catalysts. For example, CF3CH2CHClF is reacted to produce CF3CH=CHCl, and CF3CH2CClFCH3 is reacted to form CF3CH2CCl=CH2 and/or CF3CH=CClCH3.

  氢氯氟烯烃可以通过在X射线非晶态高表面积金属氟化物或X射线非晶态或弱晶体金属氧化物氟化物上进行氢氯氟烷的脱氟反应而制备，其中金属被选择自元素周期表的第2、3或4主族或任何亚族。高表面积的氟化铝或氧化铝氟化物是特别适合的催化剂。例如，CF3CH2CHClF被反应生成CF3CH=CHCl，CF3CH2CClFCH3被反应形成CF3CH2CCl=CH2和/或CF3CH=CClCH3。
• Highly selective metal fluoride catalysts for the dehydrohalogenation of 3-chloro-1,1,1,3-tetrafluorobutane
  作者：Katharina Teinz、Stefan Wuttke、Fabian Börno、Johannes Eicher、Erhard Kemnitz

  DOI：10.1016/j.jcat.2011.06.013

  日期：2011.8

  For the first time, dehydrochlorination and dehydrofluorination reactions are studied on the same substrate, 3-chloro-1,1,1,3-tetrafluorobutane, employing nanoscopic metal fluorides AlF3, MgF2, CaF2, SrF2, and BaF2 as catalysts that are prepared according the fluorolytic sol-gel synthesis. AlF3 is exclusively selective toward dehydrofluorination, whereas BaF2 is 100% selective toward dehydrochlorination. The acid-base character of the catalysts is investigated and, as a result, mechanistic proposals for the dehydrofluorination and the dehydrochlorination are given. Thus, at high conversion level, selective catalysts for both dehydrofluorination and dehydrochlorination on the same substrate have been developed. (C) 2011 Elsevier Inc. All rights reserved.