4-(perfluorooctyl)butyl p-toluenesulfonate | 187087-24-7

• 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: 4-(perfluorooctyl)butyl p-toluenesulfonate
• 英文别名: F(CF2)8(CH2)4OTs；5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl 4-methylbenzenesulfonate
• CAS: 187087-24-7
• 化学式: C₁₉H₁₅F₁₇O₃S
• 分子量: 646.365
• InChiKey: XHOWVJRLOMINJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  4,4'-([2,2'-bipyridine]-4,4'-diyl)diphenol 、 4-(perfluorooctyl)butyl p-toluenesulfonate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 以72%的产率得到4,4'-bis{p-[4-(perfluorooctyl)butoxy]phenyl}-2,2'-bipyridine
  参考文献：
  名称：

  Synthesis of new CO2-soluble ruthenium(II) and cobalt(II) polypyridine complexes bearing fluorinated alkyl chains and their application to photoreduction of liq. CO2

  摘要：

  Eight types of new CO2-soluble or CO2-philic ruthenium(II) and cobalt(II) polypyridine complexes, namely, [M(F84OPh)(3)](BArF)(2), [M(F44OPh)(3)](BArF)(2), [M(F62Ph)(3)](BArF)(2), and [M(F62O)(3)](BArF)(2) (M = Ru or Co, BArF: tetrakis[3,5-bis(trifluoromethyl)phenyl]borate), were prepared from bipyridine derivatives bearing highly fluorinated alkyl chains and applied to the photoreduction of liq. CO2 under a high pressure of 6.8 MPa at 35 degrees C. All these complexes have higher philicity toward lig. CO2 than the corresponding complexes with PF6- as the counteranion. Using the Ru(II)-Co(II) systems of [M(F44OPh)(3)](BArF)(2) and [M(F62O)(3)](BArF)(2), direct photoreduction of CO2 was achieved without the use of any organic solvent. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2010.06.005
• 作为产物：
  描述：

  2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-malonic acid 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 16.0h， 生成 4-(perfluorooctyl)butyl p-toluenesulfonate
  参考文献：
  名称：

  Convenient synthesis of thiols and disulfides in the polyfluorinated series incorporating a butylic spacer

  摘要：

  New fluorinated thiols R-F(CH2)(p)SH and disulfides [R-F(CH2)(p)S](2) containing a butylic spacer (p=4) between the perfluorinated part and the thiol (or disulfide) function were easily obtained in good yields with a purity higher than 98%. This allows us to obtain homologues (p>4) for their use as synthetic intermediates or as constituents for molecular organized systems. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00303-8