2-羟基-alpha,alpha-二(三氟甲基)环戊烷甲醇 | 34844-38-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-羟基-alpha,alpha-二(三氟甲基)环戊烷甲醇
• 中文别名: L-硫代脯氨酸；2-(1,1,1,3,3,3-六氟-2-羟基丙基-2-基)-环戊醇
• 英文名称: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentanol
• 英文别名: 2-(2,2,2-Trifluor-1-hydroxy-1-trifluormethyl)-ethyl-cyclopentanol；2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclopentanol；2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-ol
• CAS: 34844-38-7
• 化学式: C₈H₁₀F₆O₂
• 分子量: 252.157
• InChiKey: NTZTXVLAIORZPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• 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

• 作为产物：
  描述：

  2-cyclopentanone 在 5 wt% Ru/C 氢气 作用下， 以 异丙醚 为溶剂， 85.0 ℃ 、600.01 kPa 条件下， 反应 4.0h， 以97.2%的产率得到2-羟基-alpha,alpha-二(三氟甲基)环戊烷甲醇
  参考文献：
  名称：

  Processes for producing fluorine-containing 2,4-diols and their derivatives

  摘要：

  生产一种由下式表示的含氟2,4-二醇的方法， 其中R1代表氢原子或具有1至7个碳原子的非环状或环状烷基基团；R2代表具有1至7个碳原子的非环状或环状烷基基团、苯基或取代苯基；且R1和R2可以选择地相互连接以形成环，包括在钌催化剂存在下用氢还原由下式表示的羟基酮， 其中R1和R2如上定义。

  公开号：

  US20050215836A1

文献信息

• Processes for producing fluorine-containing 2,4-diols and their derivatives
  申请人：Komata Takeo

  公开号：US20050215836A1

  公开（公告）日：2005-09-29

  A process for producing a fluorine-containing 2,4-diol represented by the formula [4], wherein R 1 represents a hydrogen atom or an acyclic or cyclic alkyl group having a carbon atom number of 1 to 7; R 2 represents an acyclic or cyclic alkyl group having a carbon atom number of 1 to 7, a phenyl group, or a substituted phenyl group; and R 1 and R 2 are optionally bonded to each other to form a ring, includes reducing a hydroxy ketone represented by the formula [3], wherein R 1 and R 2 are defined as above, by hydrogen in the presence of a ruthenium catalyst.

  生产一种由下式表示的含氟2,4-二醇的方法， 其中R1代表氢原子或具有1至7个碳原子的非环状或环状烷基基团；R2代表具有1至7个碳原子的非环状或环状烷基基团、苯基或取代苯基；且R1和R2可以选择地相互连接以形成环，包括在钌催化剂存在下用氢还原由下式表示的羟基酮， 其中R1和R2如上定义。
• US7205443B2
  申请人：——

  公开号：US7205443B2

  公开（公告）日：2007-04-17
• The cross-aldol reaction of hexafluoroacetone (HFA) with ketones catalyzed by an acid
  作者：Takeo Komata、Kei Matsunaga、Yoshiki Hirotsu、Shinya Akiba、Katsuyuki Ogura

  DOI：10.1016/j.jfluchem.2007.03.011

  日期：2007.8

  The cross-aldol reactions of hexafluoroacetone (HFA) and ketones using an acid catalyst are reported. When concentrated sulfuric acid was employed as the catalyst, HFA reacted regioselectively with various ketones at 50-100 degrees C to give the aldol adducts (6) in good yields. The reaction is initiated by an acid-catalyzed transformation of the ketone into the corresponding enol that reacts with HFA. The obtained adducts (6) can be reduced with hydrogen under a Ru/C catalyst to lead to the corresponding fluorine-containing diols (13).(c) 2007 Elsevier B.V. All rights reserved.