2-chloro-1,1,1-trifluoro-3-phenylpropan-3-ol | 138950-21-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloro-1,1,1-trifluoro-3-phenylpropan-3-ol
• 英文别名: 2-Chloro-3,3,3-trifluoro-1-phenyl-propan-1-ol；2-chloro-3,3,3-trifluoro-1-phenylpropan-1-ol
• CAS: 138950-21-7
• 化学式: C₉H₈ClF₃O
• 分子量: 224.61
• InChiKey: LEWSPNQUCOJETL-UHFFFAOYSA-N

物化性质

• 沸点：
  268.6±40.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲醛 在 硝酸铵 、 三甲基氯硅烷 、 四乙基对甲苯磺酸铵 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-chloro-1,1,1-trifluoro-3-phenylpropan-3-ol
  参考文献：
  名称：

  Electroreductive coupling of halofluoro compounds with aldehydes

  摘要：

  Electroreductive intermolecular coupling of halofluoro compounds such as 1,1,1-trichloro-2,2,2-trifluoroethane, methyl chlorodifluoroacetate, and perfluoroalkyl halides with aldehydes took place effectively in the presence of chlorotrimethylsilane and one of the coupling products, 2,2-dichloro-3,3,3-trifluoro-1-phenyl-1-propanol, was selectively convertible to a variety of compounds with using the electroreduction as a key reaction.

  DOI：

  10.1016/0040-4039(91)80223-s

文献信息

• Synthesis of fluorine compounds using zinc complex of halothane
  作者：Toshiyuki Takagi、Makoto Nakamoto、Kazuyuki Sato、Mayumi Koyama、Akira Ando、Itsumaro Kumadaki

  DOI：10.1016/0040-4020(96)00722-3

  日期：1996.9

  We have reported the Grignard reaction of Halothane, 2-bromo-2-chloro-1,1,1-trifluoroethane (1), with ketones gave unexpected products, α-(1-bromo-1-chloro-2,2,2-trifluoroethyl)alcohols (4) at a low temperature. However, this reaction hardly proceeded with aldehydes. Now, we found the reaction of 1 with aldehydes in the presence of zinc gave not only products of type 4, but α-(1-chloro-2,2,2-trifluoroethyl)alcohols

  我们已经报道了氟烷，2-溴-2-氯-1,1,1-三氟乙烷（1）的格氏反应与酮的反应产生了意外的产物α-（1-溴-1-氯-2,2,2 -三氟乙基）醇（4）在低温下。但是，该反应几乎不与醛一起进行。现在，我们发现1在锌的存在下与醛的反应不仅得到4型产物，而且还产生了预期的产物α-（1-氯-2,2,2-三氟乙基）醇（3），在温和条件下以高至中等的产量。
• Synthetic utility of HCFC-123 (2,2-dichloro-1,1,1-trifluoroethane): the reaction between HCFC-123 and aldehydes using zinc
  作者：Masanori Tamura、Akira Sekiya

  DOI：10.1016/0022-1139(94)03141-l

  日期：1995.3

  HCFC-123 (2,2-dichloro-1,1,1-trifluoroethane) reacted with zinc and aldehydes to afford predominantly either 1-substituted 2-chloro-3,3-difluoro-2-propen-1-ols or 1-substituted 2,2-dichloro-3,3,3-trifluoro-1-propanols. The reactions proceeded via 1,1-dichloro-2,2,2-trifluoroethylzinc chloride as an organozinc intermediate.
• Electroreductive coupling of halofluoro compounds with aldehydes
  作者：Tatsuya Shono、Naoki Kise、Hideaki Oka

  DOI：10.1016/0040-4039(91)80223-s

  日期：1991.11

  Electroreductive intermolecular coupling of halofluoro compounds such as 1,1,1-trichloro-2,2,2-trifluoroethane, methyl chlorodifluoroacetate, and perfluoroalkyl halides with aldehydes took place effectively in the presence of chlorotrimethylsilane and one of the coupling products, 2,2-dichloro-3,3,3-trifluoro-1-phenyl-1-propanol, was selectively convertible to a variety of compounds with using the electroreduction as a key reaction.