3-(1,1,2,2-tetrafluoro-2-(pentafluoro-l6-sulfaneyl)ethyl)aniline | 449187-35-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(1,1,2,2-tetrafluoro-2-(pentafluoro-l6-sulfaneyl)ethyl)aniline
• CAS: 449187-35-3
• 化学式: C₈H₆F₉NS
• 分子量: 319.194
• InChiKey: XOEGOWMYJUBERZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-(1,1,2,2-tetrafluoro-2-(pentafluoro-l6-sulfaneyl)ethyl)aniline 在 盐酸 、 sodium nitrite 、 sodium azide 作用下， 反应 2.0h， 以46%的产率得到
  参考文献：
  名称：

  New aromatic pentafluoro-λ6-sulfanyl (SF5) derivatives, m-SF5(CF2)2C6H4X: (X = N3, Br, OC(O)CHCH2, CHCH2)

  摘要：

  Preparation of the following new m-SF5CF2CF2C6H4X derivatives has been achieved: X = N-3(2), Br(3), OC(O)CH=CH2(4), CH=CH2(5). The compounds were characterized by their respective IR, NMR, mass spectra (MS) and high resolution mass spectrometry (HRMS). An improved yield of SF5(CF2)(2)C6H5 (1) is also reported along with the synthesis of the polyacrylate (6) and polystyrene (7) from their respective monomers. (C) 2002 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-1139(02)00059-3
• 作为产物：
  描述：

  Pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-lambda6-sulfane 在 盐酸 、 硝酸 、 tin(ll) chloride 作用下， 反应 76.0h， 生成 3-(1,1,2,2-tetrafluoro-2-(pentafluoro-l6-sulfaneyl)ethyl)aniline
  参考文献：
  名称：

  新五氟-λ 6硫烷基（SF 5）全氟烷基的苯衍生物

  摘要：

  制备以下新的SF 5-全氟烷基苯衍生物m -SF 5 CF 2 CF 2 C 6 H 4 X（X = NO 2，NH 2，OH，I，NHCOCH 3，SO 2 Cl，SO 3 H，SO已达到3 K）。这些新化合物通过各自的IR，NMR和HRMS或元素分析进行​​了表征。

  DOI：

  10.1016/s0022-1139(01)00499-7

文献信息

• Site directed synthesis of mono and disubstituted SF5-polyfluoroalkyl benzenes
  作者：R.W. Winter、R. Dodean、J.A. Smith、Anilkumar R.、D.J. Burton、G.L. Gard

  DOI：10.1016/j.jfluchem.2005.05.009

  日期：2005.8

  method for the preparation of o-, m-, p-SF5CF2CFYC6H4X (Y = Br, F and X = m-Br, p-Br, Cl, CH3, CF3, NO2, o-NO2, F, CF3, CH(CH3)2) derivatives was devised by a two-step reaction: SF5Br-addition to o-, m-, p-CF2CFC6H4X followed by reaction of AgBF4 with the o-, m-, p-SF5CF2CFBrC6H4X adducts. Additional studies have been carried out with several derivatives and includes the preparation of SF5CF2C(O)C6H5

  一种制备o-，m-，p -SF 5 CF 2 CFYC 6 H 4 X（Y = Br，F和X =  m -Br，p -Br，Cl，CH 3，CF 3，NO的新方法2，通过两步反应设计了o -NO 2，F，CF 3，CH（CH 3）2）衍生物：SF 5 Br加成到o-，m-，p -CF 2 CFC 6 H 4X随后的AgBF的反应4与ø - ，米- ，p -SF 5 CF 2 CFBrC 6 ħ 4 X加合物。已对几种衍生物进行了进一步的研究，包括制备SF 5 CF 2 C（O）C 6 H 5，对-CF 3 CFBrC 6 H 4 NO 2，SF 5 CF 2 CF 2 CF 2 C 6 H 3（NO 2）2，SF 5 CF 2 CF 2 C 6 H 3（NH 2）2以及含SF 5 CF 2 CF 2的聚酰亚胺和染料。给出了这些化合物的完整表征（IR，NMR和MS）。
• SF₅-Terminated Fluorinated Schiff Base Liquid Crystals
  作者：Jeremy A. Smith、Robert A. DiStasio、Nicole A. Hannah、Rolf W. Winter、Timothy J. R. Weakley、Gary L. Gard、Shankar B. Rananavare

  DOI：10.1021/jp047732o

  日期：2004.12.1

  Novel liquid crystals based on fluorinated carbon chains and terminated with SF5 groups are presented for the first time. Attachment of an SF5 group separated from a benzylidine group by a fluorinated spacer leads to monotropic nematic and smectic phases, while an enantiotropic nematic phase is observed in mixtures. The phase sequence of these new compounds is comparable to hydrocarbon analogues of nO.m (n-alkoxy-m-alkylbenzylidine) series. Despite a long alkoxy chain, the nematic --> smectic A transition is closer to second order, with M-TCP(predicted) approximate to 0.995 values that are even higher than for the nCB (n-alkylcyanobiphenyls) series. Single crystal and quantum computational studies suggest that electrostatic interactions play a major role in governing the value of M-TCP. Molecular packing in the crystal structure exhibits monoclinic P2(1)/a symmetry. A flexible synthetic strategy that allows the synthesis of another homologous series with a bend in the molecular structure is also presented. The bent core structure of 100.2 SF5 investigated shows a monotropic, tilted smectic phase for the higher C-10 alkoxy chain. The compounds in this series reveal a high degree of undercooling (well above 50 degreesC), which is rationalized using finite size effects on nucleation.