Pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-lambda6-sulfane | 371161-29-4

• 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: Pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-lambda6-sulfane
• 英文别名: pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-λ6-sulfane
• CAS: 371161-29-4
• 化学式: C₈H₅F₉S
• 分子量: 304.179
• InChiKey: SPURSYOLMIRRRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-lambda6-sulfane 在 四(三苯基膦)钯 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 32.0h， 生成 pentafluoro(1,1,2,2-tetrafluoro-2-(3-vinylphenyl)ethyl)-l6-sulfane
  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：

  (2-Bromo-1,1,2-trifluoro-2-phenylethyl)-pentafluoro-lambda6-sulfane 在 silver tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 以92%的产率得到Pentafluoro-(1,1,2,2-tetrafluoro-2-phenylethyl)-lambda6-sulfane
  参考文献：
  名称：

  An improved and facile preparation of ω-SF5-(perfluoroethyl)benzene (SF5CF2CF2C6H5)

  摘要：

  A high-yield preparation of SF5CF2CF2C6H5 has been achieved via a two-step process: alpha,beta,beta-trifluorostyrene reacts with SF5Br to give the intermediate product SF5CF2CFBrC6H5 (1) which, when treated with AgBF4 in methylene chloride, produces SF5CF2CF2C6H5 (2) in high yield. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00225-7

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）。
• New pentafluoro-λ6-sulfanyl (SF5) perfluoroalkyl benzene derivatives
  作者：A.M Hodges、R.W Winter、S.W Winner、D.A Preston、G.L Gard

  DOI：10.1016/s0022-1139(01)00499-7

  日期：2002.3

  Preparation of the following new SF5-perfluoroalkyl benzene derivatives, m-SF5CF2CF2C6H4X (X=NO2, NH2, OH, I, NHCOCH3, SO2Cl, SO3H, SO3K) has been achieved. The new compounds were characterized by their respective IR, NMR and HRMS or elemental analysis.

  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。
• ω-Pentafluoro-λ6-sulfanyl(SF5)-n-perfluoroalkyl benzene derivatives
  作者：Anna Marie Hodges、Rolf Winter、Javid Mohtasham、Pauline Bailey、Gary L. Gard

  DOI：10.1016/s0022-1139(01)00365-7

  日期：2001.7

  The reaction of pentafluoro-lambda (6)-sulfanyl(SF5)-perfluoroalkyl iodides with benzene is a convenient route for preparing SF5-perfluoroalkyl benzene derivatives, SF5(CF2)(n)C6H5 (n = 2, 4, 6, 8), a new class of perfluoroalkylaromatic compounds. The preparation and characterization of these new materials are described. (C) 2001 Elsevier Science B.V. All rights reserved.
• New aromatic pentafluoro-λ6-sulfanyl (SF5) derivatives, m-SF5(CF2)2C6H4X: (X = N3, Br, OC(O)CHCH2, CHCH2)
  作者：R.W. Winter、S.W. Winner、D.A. Preston、J. Mohtasham、J.A. Smith、G.L. Gard

  DOI：10.1016/s0022-1139(02)00059-3

  日期：2002.5

  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.
• An improved and facile preparation of ω-SF5-(perfluoroethyl)benzene (SF5CF2CF2C6H5)
  作者：R.W. Winter、G.L. Gard

  DOI：10.1016/s0022-1139(02)00225-7

  日期：2002.12

  A high-yield preparation of SF5CF2CF2C6H5 has been achieved via a two-step process: alpha,beta,beta-trifluorostyrene reacts with SF5Br to give the intermediate product SF5CF2CFBrC6H5 (1) which, when treated with AgBF4 in methylene chloride, produces SF5CF2CF2C6H5 (2) in high yield. (C) 2002 Elsevier Science B.V. All rights reserved.