2-cyclohexanone | 85448-11-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexanone
• 英文别名: 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexanone；2-(2-hydroxyperfluoroisopropyl)cyclohexanone；2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohexanone；2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
• CAS: 85448-11-9
• 化学式: C₉H₁₀F₆O₂
• 分子量: 264.168
• InChiKey: DVZIAUDAPRYTSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  98-100 °C(Press: 17 Torr)
• 密度：
  1.443±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 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-cyclohexanone 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77%的产率得到2-hexafluoroisopropylidenecyclohexanone
  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-环己烯氧基三甲基硅烷 、 六氟丙酮 在 四氯化锡 作用下， 以72%的产率得到2-cyclohexanone
  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.
• Zalesskaya, I. M.; Fialkov, Yu. A.; Parakhnenko, A. I., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, # 10, p. 1890 - 1894
  作者：Zalesskaya, I. M.、Fialkov, Yu. A.、Parakhnenko, A. I.、Yagupol'skii, I. M.

  DOI：——

  日期：——
• 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：——
• ZALESSKAYA, I. M.;FIALKOV, YU. A.;PARAXNENKO, A. I.;YAGUPOLSKIJ, L. M., ZH. ORGAN. XIMII, 23,(1987) N 10, 2140-2145
  作者：ZALESSKAYA, I. M.、FIALKOV, YU. A.、PARAXNENKO, A. I.、YAGUPOLSKIJ, L. M.

  DOI：——

  日期：——