3,3,4,5,5,5-Hexafluoropentane-1,2-diol | 121628-30-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 3,3,4,5,5,5-Hexafluoropentane-1,2-diol
• 英文别名: 1,2-dihydroxy-3,3,4,5,5,5-hexafluoropentane；CF3CFHCF2CH(OH)CH2OH
• CAS: 121628-30-6
• 化学式: C₅H₆F₆O₂
• 分子量: 212.092
• InChiKey: XSWCRNDMNHPRNW-UHFFFAOYSA-N

物化性质

• 沸点：
  194.5±35.0 °C(Predicted)
• 密度：
  1.519±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  六氟丙烯 、 3,3,4,5,5,5-Hexafluoropentane-1,2-diol 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 CF3CFHCF2CH(OCF2CFHCF3)CH2OCF2CFHCF3
  参考文献：
  名称：

  WO2007/30314

  摘要：

  公开号：
• 作为产物：
  描述：

  六氟丙烯 在 二叔丁基过氧化物 、 氮气 作用下， 以 三氟甲苯 、 乙二醇 为溶剂， 生成 3,3,4,5,5,5-Hexafluoropentane-1,2-diol
  参考文献：
  名称：

  Fluorine-containing mono- or poly-alkylene glycol and method for

  摘要：

  本发明的含氟单或多个烷基二元醇是公式(I)的单或多个烷基二元醇：##STR1## 其中，R1、R2和R3分别独立地表示氢原子或具有1至30个碳原子的烷基基团，A表示氢原子、具有1至30个碳原子的不饱和碳氢基团、极性基团或带有1至100个碳原子的不饱和碳氢基团取代的极性基团，B表示与来自A组的所选组相同，前提是A和B均不是氢原子，或者是具有1至30个碳原子的可能包含氧原子或氟原子的碳氢基团，x表示0至100的整数，n表示1至1000的整数，单或多个氧代烷基在单或多个烷基二元醇的主链中至少有一个具有至少3个氟原子键合的具有2至30个碳原子的氟取代碳氢基团被嫁接到单或多个烷基二元醇的主链中的单个分子上。

  公开号：

  US05068400A1

文献信息

• Fluoroalkyl derivatives of protected glycerol by nucleophilic substitution. Fluorine-containing amphiphilic mono- and bis-methacrylates
  作者：Jaroslav Kvíčala、Bohumil Dolenský、Oldřich Paleta

  DOI：10.1016/s0022-1139(97)00063-8

  日期：1997.10

  The tosylate of protected glycerol (solketal, 4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane) was fluoroalkylated by a nucleophilic substitution reaction with sodium polyfluoroalkoxides. On deprotection, 3-O-fluoroalkylated glycerol was obtained which was converted to mono-and bis-methacrylates; analogous methacrylate derivatives were prepared from 3,3,4,5,5,5-hexafluoro-pentane-1,2-diol. (C) 1997 Elsevier Science S.A.
• Radical addition reactions of fluorinated species. Part 7. Highly selective two-step synthesis of 1-(polyfluoroalkyl)ethane-1,2-diols; regioselectivity of the additions of methylated 1,3-dioxolanes to perfluoroolefins
  作者：Vladimı́r Cı́rkva、Oldrich Paleta

  DOI：10.1016/s0022-1139(98)00356-x

  日期：1999.4

  The two-step synthesis of the diols is based on the radical addition of 2,2-dimethyl-1,3-dioxolane (1), a protected ethane-1,2-diol, to perfluoroalk-1-enes R-F-CF=CF2 (RF=CF3, C9F19; 2, 3) and perfluoro[trifluorovinyl (poly)ethers] RFO-CF=CF2 (R-F=C3F7, C3F7O[CF(CF3)CF2], CF3(OCF2CF2)(4); 4-6) with preparative yields above 90% in each step. The additions were initiated photochemically or by dibenzoyl peroxide and were completely chemoselective and almost completely regioselective. 4-Fluoroalkylated dioxolanes obtained (7-11) were deprotected by acid methanolysis to afford 1-polyfluoroalkylethane-1,2-diols (12-16). 1,3-Dioxolane (27) or 2,2,4-trimethyl-1, 3-dioxolane (30) reacted at two centers to yield regioisomeric mixtures of fluoroalkylated dioxolanes. The factors influencing fluoroolefin and dioxolane regioselectivity are discussed. (C) 1999 Elsevier Science S.A. All rights reserved.
• WO2007/30314
  申请人：——

  公开号：——

  公开（公告）日：——
• Fluorine-containing mono- or poly-alkylene glycol and method for
  申请人：Mitsui Petrochemical Industries, Ltd.

  公开号：US05068400A1

  公开（公告）日：1991-11-26

  The novel fluorine-containing mono- or poly-alkylene glycol of this invention is a mono- or poly-alkylene glycol of the formula (I): ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 independently represent a hydrogen atom or an alkyl group having 1 to 30 carbon atoms, A represents a hydrogen atom, an unsaturated hydrocarbon group having 1 to 30 carbon atoms, a polar group or a polar group substituted with an unsaturated hydrocarbon group having 1 to 100 carbon atoms, B represents the same as the group selected from the group of A, provided that both A and B are not hydrogen atom, or a hydrocarbon group having 1 to 30 carbon atoms which may contain an oxygen atom or fluorine atom, x represents an integer of 0 to 100, and n represents an integer of 1 to 1000, the mono- or poly-oxyalkylene group in the main chain of the mono- or poly-alkylene glycol having at least one fluorine-substituted hydrocarbon group with 2 to 30 carbon atoms having at least 3 fluorine atoms bonded thereto graft-bonded onto the mono- or poly-oxyalkylene group in the main chain of the mono- or poly-alkylene glycol per one molecule of the mono- or poly-alkylene glycol.

  本发明的含氟单或多个烷基二元醇是公式(I)的单或多个烷基二元醇：##STR1## 其中，R1、R2和R3分别独立地表示氢原子或具有1至30个碳原子的烷基基团，A表示氢原子、具有1至30个碳原子的不饱和碳氢基团、极性基团或带有1至100个碳原子的不饱和碳氢基团取代的极性基团，B表示与来自A组的所选组相同，前提是A和B均不是氢原子，或者是具有1至30个碳原子的可能包含氧原子或氟原子的碳氢基团，x表示0至100的整数，n表示1至1000的整数，单或多个氧代烷基在单或多个烷基二元醇的主链中至少有一个具有至少3个氟原子键合的具有2至30个碳原子的氟取代碳氢基团被嫁接到单或多个烷基二元醇的主链中的单个分子上。