(1-Trifluoromethyl-2-chloroethylthio)acetone | 139571-64-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-Trifluoromethyl-2-chloroethylthio)acetone
• 英文别名: 1-[(3-Chloro-1,1,1-trifluoropropan-2-yl)sulfanyl]propan-2-one；1-(3-chloro-1,1,1-trifluoropropan-2-yl)sulfanylpropan-2-one
• CAS: 139571-64-5
• 化学式: C₆H₈ClF₃OS
• 分子量: 220.643
• InChiKey: FVUYOSSGYPVPFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-Trifluoromethyl-2-chloroethylthio)acetone 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 30.0h， 以84%的产率得到(1-Trifluoromethylvinylthio)acetone
  参考文献：
  名称：

  1-Trifluoromethyl-2-chloroethylthiolated carbonyl compounds: Synthesis and properties

  摘要：

  1-Trifluoromethyl-2-chloroethylsulfenyl chloride thiolates enolizible ketones, forming products of mono- and disubstitution. The properties of the resultant sulfides are determined by the presence in the molecule of two acidic CH centers. Thus, bromination proceeds at the ambident center and reaction with bases leads to (1-trifluoromethylvinyl) sulfides which are able to undergo intramolecular cyclizations and Diels-Alder reactions.

  DOI：

  10.1007/bf00958002
• 作为产物：
  描述：

  1-trifluoromethyl-2-chloroethylsulfenyl chloride 、 丙酮 以86%的产率得到(1-Trifluoromethyl-2-chloroethylthio)acetone
  参考文献：
  名称：

  1-Trifluoromethyl-2-chloroethylthiolated carbonyl compounds: Synthesis and properties

  摘要：

  1-Trifluoromethyl-2-chloroethylsulfenyl chloride thiolates enolizible ketones, forming products of mono- and disubstitution. The properties of the resultant sulfides are determined by the presence in the molecule of two acidic CH centers. Thus, bromination proceeds at the ambident center and reaction with bases leads to (1-trifluoromethylvinyl) sulfides which are able to undergo intramolecular cyclizations and Diels-Alder reactions.

  DOI：

  10.1007/bf00958002

文献信息

• SIZOV, A. YU.;KOLOMIETS, A. F.;FOKIN, A. V., IZV. AN CCCP. CEP. XIM.,(1991) N, S. 676-681
  作者：SIZOV, A. YU.、KOLOMIETS, A. F.、FOKIN, A. V.

  DOI：——

  日期：——
• 1-Trifluoromethyl-2-chloroethylthiolated carbonyl compounds: Synthesis and properties
  作者：A. Yu. Sizov、A. F. Kolomiets、A. V. Fokin

  DOI：10.1007/bf00958002

  日期：1991.3

  1-Trifluoromethyl-2-chloroethylsulfenyl chloride thiolates enolizible ketones, forming products of mono- and disubstitution. The properties of the resultant sulfides are determined by the presence in the molecule of two acidic CH centers. Thus, bromination proceeds at the ambident center and reaction with bases leads to (1-trifluoromethylvinyl) sulfides which are able to undergo intramolecular cyclizations and Diels-Alder reactions.