3-chloro-1,1,1,3-tetrafluorobutane | 1227947-54-7

• 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: 3-chloro-1,1,1,3-tetrafluorobutane
• CAS: 1227947-54-7
• 化学式: C₄H₅ClF₄
• 分子量: 164.53
• InChiKey: BNUSKMGXRXIWAF-UHFFFAOYSA-N

物化性质

• 沸点：
  63.9±8.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• 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：
  4

反应信息

• 作为反应物：
  描述：

  3-chloro-1,1,1,3-tetrafluorobutane 在 barium fluoride 作用下， 反应 -5.0h， 生成 2,4,4,4-四氟-1-丁烯
  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 DEHYDROCHLORINATION OF HYDROCHLOROFLUOROALKANES<br/>[FR] PROCÉDÉ DE DÉSHYDROCHLORATION D'HYDROCHLOROFLUOROALCANES
  申请人：SOLVAY

  公开号：WO2011121058A1

  公开（公告）日：2011-10-06

  A process for the selective dehydrochlorination of hydrochlorofluoroalkanes by using chloride fluorides of Ba, Ca or Sr as catalysts.

  使用钡、钙或锶的氟化物作为催化剂的选择性脱氢氯氟烷的过程。
• [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。
• [EN] PROCESS FOR DEHYDROFLUORINATING HYDROCHLOROFLUOROALKANES AND PRODUCTS OBTAINED THEREBY<br/>[FR] PROCÉDÉ DE DÉSHYDROFLUORATION D'HYDROCHLOROFLUOROALCANES ET PRODUITS OBTENUS À L'AIDE DU PROCÉDÉ
  申请人：SOLVAY

  公开号：WO2011121057A1

  公开（公告）日：2011-10-06

  A process for the selective dehydrofluorination of hydrochlorofluoroalkanes and novel hydrochlorofluoroalkenes is described wherein an effective amount of a catalytically active metal compound is applied which is selected from the group consisting of AIF3-δ, MgAlxF2+3x-δ and MgZryF2+4y-δ, wherein x and y have, independently of one another, values in the range of from 0 to 0.33 and δ has a value in the range of from 0 to 0.1. Certain hydrofluorochloroalkenes are also described, as well as their use as intermediates in chemical reactions.

  本文描述了一种用于选择性脱氢氟化氢氯氟烷和新型氢氯氟烯的过程，其中应用了有效量的催化活性金属化合物，所述金属化合物从以下组中选择：AIF3-δ，MgAlxF2+3x-δ和MgZryF2+4y-δ，其中x和y独立地具有从0到0.33的值，δ具有从0到0.1的值。还描述了某些氢氟氯烯烃，以及它们在化学反应中作为中间体的用途。
• Characterization of surfacial basic sites of sol gel-prepared alkaline earth fluorides by means of PulseTA®
  作者：M. Feist、K. Teinz、S. Robles Manuel、E. Kemnitz

  DOI：10.1016/j.tca.2011.07.010

  日期：2011.7

  The CO2 adsorption properties of a series of different sol gel-prepared metal fluorides of the alkaline earth row and aluminium, among them two mixed (doped) metal fluorides was investigated by applying Pulse Thermal Analysis. The alkaline earth flurorides, which exhibit nanoscopic properties, have not only acid, but basic sites as well. For the first time, these basic sites have been characterized by the exothermicity of the first CO2 injection pulse. If the basicity is weak or absent, the alternating injection of water can generate OH groups at the surface of the fluorides. They mostly act as basic sites and allow a stronger differentiation of the basic properties, but the formed OH groups can exhibit an acid character as well. The impact of OH groups can affect a different influence on the sorption properties of the solids: the adsorption ability vs. CO2 can be promoted, suppressed or remain unaffected. (C) 2011 Elsevier B.V. All rights reserved.
• 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.