2,4-bis(trifluoromethyl)-1,1,1,5,5,5-hexafluoropentane-2,4-diol | 503169-49-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-bis(trifluoromethyl)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
• 英文别名: 1,1,1,5,5,5-Hexafluoro-2,4-bis(trifluoromethyl)pentane-2,4-diol
• CAS: 503169-49-1
• 化学式: C₇H₄F₁₂O₂
• 分子量: 348.088
• InChiKey: ZXXAYTLNJUZPGL-UHFFFAOYSA-N

物化性质

• 沸点：
  193.7±35.0 °C(Predicted)
• 密度：
  1.700±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 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：
  14

反应信息

• 作为产物：
  描述：

  六氟丙酮 、 2-(溴甲基)六氟丙烷-2-醇 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 2.0h， 以56%的产率得到2,4-bis(trifluoromethyl)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
  参考文献：
  名称：

  Facile preparation and synthetic applications of LiCH2C(CF3)2OLi

  摘要：

  Bromohydrin BrCH2C(CF3)(2)OH readily reacts with two equivalents of n-BuLi at -78 degreesC to produce the corresponding dilithium derivative LiCH2C(CF3)(2)OLi in high yield. This dilithiated derivative reacts selectively, acting as a C-nucleophile, with a variety of electrophiles such as R2PCl, carbonyl compounds, and epoxides, to give electron-deficient phosphines R2PCH2C(CF3)(2)OH, 1,3- and 1,4-diols, correspondingly. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00154-9

文献信息

• US7511179B2
  申请人：——

  公开号：US7511179B2

  公开（公告）日：2009-03-31
• Facile preparation and synthetic applications of LiCH2C(CF3)2OLi
  作者：Vladimir V. Grushin、William J. Marshall、Gary A. Halliday、Fredric Davidson、Viacheslav A. Petrov

  DOI：10.1016/s0022-1139(02)00154-9

  日期：2002.10

  Bromohydrin BrCH2C(CF3)(2)OH readily reacts with two equivalents of n-BuLi at -78 degreesC to produce the corresponding dilithium derivative LiCH2C(CF3)(2)OLi in high yield. This dilithiated derivative reacts selectively, acting as a C-nucleophile, with a variety of electrophiles such as R2PCl, carbonyl compounds, and epoxides, to give electron-deficient phosphines R2PCH2C(CF3)(2)OH, 1,3- and 1,4-diols, correspondingly. (C) 2002 Elsevier Science B.V. All rights reserved.