反式-1-氟-1-丙烯 | 20327-65-5

• 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: 反式-1-氟-1-丙烯
• 英文名称: (E)-1-fluoropropene
• 英文别名: trans-1-Fluorpropen；t-1-fluoropropene；1-fluoropropene；1t-fluoro-propene；trans-Propenylfluorid；(E)-1-Fluor-propen；trans-1-Fluoro-1-propene；(E)-1-fluoroprop-1-ene
• CAS: 20327-65-5
• 化学式: C₃H₅F
• 分子量: 60.0711
• InChiKey: VJGCZWVJDRIHNC-NSCUHMNNSA-N

物化性质

• 沸点：
  -19.82°C (estimate)
• 密度：
  0.7900

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2903399090

反应信息

• 作为反应物：
  描述：

  反式-1-氟-1-丙烯 在 碘 作用下， 生成 氟化烯丙基
  参考文献：
  名称：

  氟作为取代基的热力学效应：乙烯基CF 2和CFH和烯丙基CF 2 C

  摘要：

  I 2催化的3-氟丙烯和3,3-二氟丙烯的异构化以及1,1-二氟-1,5-己二烯的Cope重排提供了热力学数据，这些数据可以确定许多重要的基团值对ΔH的贡献ø ˚F当与那些前述纸中测定合并的允许的ΔH计算ø ˚F “最简单F-取代的烃的S：[C d （F）（H）] = - 38.4，[C d （F ）2 ] = − 88.0，[C（F）2（C）（C d）] = − 103.9，[C（F）2（C）2] ＝-104.9kcal /摩尔。从1,1-二氟转化为3,3-二氟-1,5-己二烯的动力学研究为该工艺提供了活化参数：Log A = 10.8，E a = 33.0 kcal / mole和ΔS ≠ =-12.2 eu讨论并对比了F和其他取代基的渐进式宝石稳定。

  DOI：

  10.1016/0040-4020(82)87020-8
• 作为产物：
  描述：

  2-溴-1-氯-1-氟丙烷 在 丙醇 、 锌 作用下， 生成 反式-1-氟-1-丙烯
  参考文献：
  名称：

  Chloroprene copolymers

  摘要：

  公开号：

  US02938888A1

文献信息

• Haszeldine,R.N. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 2349 - 2353
  作者：Haszeldine,R.N. et al.

  DOI：——

  日期：——
• Simon, F. G.; Heydtmann, H., Berichte der Bunsen-Gesellschaft, 1986, vol. 90, p. 543 - 545
  作者：Simon, F. G.、Heydtmann, H.

  DOI：——

  日期：——
• Kinetic Study of Chemically Activated Fluorocyclopropane
  作者：L. Dall'O、H. Heydtmann

  DOI：10.1002/bbpc.19870910107

  日期：1987.1

  AbstractThe photolysis of ketene at 313 nm was studied in the presence of fluoroethene and oxygen. The product formation was observed as a function of total pressure between 12 and 1080 mbar. Chemically activated fluorocyclopropane was formed by addition of singlet methylene to the double bond, and subsequent isomerization to the fluoropropenes as well as decomposition of these primary products to allene, propyne and HF was observed. The product yield was described by RRKM calculations; a stepladder deactivation model was used.
• Synthese d'ethyleniques monofluores
  作者：A. Baklouti、M.M. Chaabouni

  DOI：10.1016/s0022-1139(00)81333-0

  日期：1981.12
• Isotopomer distributions of neutral products from a doubly labeled cation in the gas phase. Interconversion of 1-fluoro-1-propyl cation and 1-fluoroisopropyl cation on the C3H6F+ potential energy surface
  作者：Thomas A. Shaler、Thomas Hellman Morton

  DOI：10.1021/ja00018a009

  日期：1991.8

  The title cations CH3CH2CHF+ (3) and CH3CHCH2F+ (4) are formed as transient intermediates in the gas phase. These are labile on the millisecond timescale as free ions but can be intercepted in ion-neutral complexes. When 3 is generated as a free cation by reaction of CF3+ with propionaldehyde, it rearranges to (CH3)2CF+ (1), as shown by recovery of 2-fluoropropene as a neutral product from its deprotonation in an EBFlow experiment. The same neutral product is recovered when 1 is produced directly by reaction of acetone with CF3+ in the EBFlow. Neutral products indicative of 3 and 4 (allyl fluoride and 1-fluoropropene) are recovered when these cations are formed in [R+ PhO.] ion-neutral complexes by electron bombardment of CH3CDFCH2OPh (6). Analysis of the isotopic distribution in the recovered neutrals from EBFlow radiolysis of CH3CDF*CH2OPh (where the asterisked carbon is C-13-labeled) allows an assessment of the primary rearrangement pathways. The distribution of label is assayed by using F-19 NMR. Rearrangement of the R+ moiety to form deuterated 1 occurs in about half of the complexes formed. In the remainder, methyl transfer (to form deuterated 3) is 2-3 times faster than fluoride transfer (to form deuterated 4). Scrambling of deuterium in the neutral products provides evidence that 3 and 4 interconvert within the ion-neutral complexes.

表征谱图