2-cyclopentanone | 85448-12-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclopentanone
• 英文别名: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentanone；2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclopentanone；2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone；2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
• CAS: 85448-12-0
• 化学式: C₈H₈F₆O₂
• 分子量: 250.141
• InChiKey: WDPFJWBJPKXWDD-UHFFFAOYSA-N

物化性质

• 沸点：
  81-83 °C(Press: 22 Torr)
• 密度：
  1.513±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-cyclopentanone 在 吡啶 、 氯硫亚酸酸,甲基酯 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以84%的产率得到2-hexafluoroisopropylidenecyclopentanone
  参考文献：
  名称：

  Regiospecific α-hexafluoroisopropylidenation of ketones using hexafluoroacetone

  摘要：

  DOI：

  10.1016/s0022-1139(00)81485-2
• 作为产物：
  描述：

  1-(三甲基硅氧基)环戊烯 、 六氟丙酮 在 四氯化锡 作用下， 以83%的产率得到2-cyclopentanone
  参考文献：
  名称：

  Regiospecific α-hexafluoroisopropylidenation of ketones using hexafluoroacetone

  摘要：

  DOI：

  10.1016/s0022-1139(00)81485-2

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。
• 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.
• ISHIHARA, TAKASHI;SHINJO, HIROSHI;INOUE, YOSHIHISA;ANDO, TEIICHI, J. FLUOR. CHEM., 1983, 22, N 1, 1-19
  作者：ISHIHARA, TAKASHI、SHINJO, HIROSHI、INOUE, YOSHIHISA、ANDO, TEIICHI

  DOI：——

  日期：——
• US7205443B2
  申请人：——

  公开号：US7205443B2

  公开（公告）日：2007-04-17
• Regiospecific α-hexafluoroisopropylidenation of ketones using hexafluoroacetone
  作者：Takashi Ishihara、Hiroshi Shinjo、Yoshihisa Inoue、Teiichi Ando

  DOI：10.1016/s0022-1139(00)81485-2

  日期：1983.1