3-羟基-1,1,1,2,2-五氟-3-苯基丁烷 | 101417-69-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-羟基-1,1,1,2,2-五氟-3-苯基丁烷
• 英文名称: 2-phenyl-3,3,4,4,4-pentafluorobutan-2-ol
• 英文别名: 3-hydroxy-1,1,1,2,2-pentafluoro-3-phenylbutane；3,3,4,4,4-pentafluoro-2-phenyl-2-butanol；3,3,4,4,4-Pentafluoro-2-phenylbutan-2-ol
• CAS: 101417-69-0
• 化学式: C₁₀H₉F₅O
• 分子量: 240.173
• InChiKey: DGNSCPCUDMFPMG-UHFFFAOYSA-N

物化性质

• 沸点：
  69-70 °C(Press: 3.6 Torr)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(五氟乙基)-1-苯基乙基甲苯磺酸酯 在 乙醇 作用下， 生成 3-羟基-1,1,1,2,2-五氟-3-苯基丁烷
  参考文献：
  名称：

  Kirmse, Wolfgang; Wonner, Aribert; Allen, Annette D., Journal of the American Chemical Society, 1992, vol. 114, # 23, p. 8828 - 8835

  摘要：

  DOI：

文献信息

• Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US10450253B2

  公开（公告）日：2019-10-22

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。
• Preparation of trifluoromethyl and other perfluoroalkyl compounds with (perfluoroalkyl)trimethylsilanes
  作者：Ramesh Krishnamurti、Donald R. Bellew、G. K. Surya Prakash

  DOI：10.1021/jo00003a017

  日期：1991.2

  The preparation of a variety of novel perfluoroalkyl-substituted compounds in high yields using easily prepared (perfluoroalkyl)trimethylsilanes (1a-c) is described. (Trifluoromethyl)-, (pentafluoroethyl)-, and (heptafluoropropyl)trimethylsilane, 1a-c, respectively, react readily with carbonyl compounds, such as aldehydes and ketones, by a fluoride-initiated catalytic process. Fluoride-initiated addition of 1 to a carbonyl group generates an oxyanionic species which then further catalyzes the reaction. Even enolizable carbonyl compounds react cleanly under the reaction conditions. A study of the scope of the reactivity of 1a toward other carbonyl groups in esters, lactones and an acid chloride was also carried out. Thus 1a reacts cleanly with five- and six-membered ring lactones. However, unactivated esters do not react under the reaction conditions. The acid chloride reacts with 1a to give a mixture of products.
• Nucleophilic addition of the pentafluoroethyl group to aldehydes, ketones, and esters
  作者：Paul G. Gassman、Neil J. O'Reilly

  DOI：10.1021/jo00388a025

  日期：1987.6
• Pentafluoroethyllithium. Generation and use in synthesis
  作者：Paul G. Gassman、Neil J. O'Reilly

  DOI：10.1016/s0040-4039(00)95005-6

  日期：1985.1
• GASSMAN, P. G.;OREILLY, N. J., TETRAHEDRON LETT., 1985, 26, N 43, 5243-5246
  作者：GASSMAN, P. G.、OREILLY, N. J.

  DOI：——

  日期：——