2,2,6,6-tetrakis(chloromethyl)cyclohexanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,6,6-tetrakis(chloromethyl)cyclohexanone
• 英文别名: 2,2,6,6-tetrakis(chloromethyl)cyclohexan-1-one
• 化学式: C₁₀H₁₄Cl₄O
• 分子量: 292.033
• InChiKey: AQIAZQNYXUJNNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 环己酮 在 盐酸 作用下， 反应 2.0h， 生成 2,2,6,6-tetrakis(chloromethyl)cyclohexanone 、 2-(chloromethyl)cyclohexanone
  参考文献：
  名称：

  Identification of alkylarene chloromethylation products using gas-chromatographic retention indices

  摘要：

  Gas-chromatographic retention indices on standard nonpolar polydimethylsiloxane stationary phases allow identification of products formed by known organic reactions even without using mass-spectrometric data. The efficiency of this approach was demonstrated by the example of identification of previously uncharacterized chloromethyl derivatives of alkylarenes, including structural isomers of compounds containing several chloromethyl groups, directly in reaction mixtures. Chromatographic analysis of such reaction mixtures allows identification of positional isomers of the starting alkylarenes even when they are present simultaneously. The retention indices were determined for the first time for more than 50 alkyl-(chloromethyl)arenes, by-products of chloromethylation, and chloromethyl derivatives of the simplest alkyl phenyl ketones.

  DOI：

  10.1134/s1070363207040196

文献信息

• Identification of alkylarene chloromethylation products using gas-chromatographic retention indices
  作者：I. G. Zenkevich、A. A. Makarov

  DOI：10.1134/s1070363207040196

  日期：2007.4

  Gas-chromatographic retention indices on standard nonpolar polydimethylsiloxane stationary phases allow identification of products formed by known organic reactions even without using mass-spectrometric data. The efficiency of this approach was demonstrated by the example of identification of previously uncharacterized chloromethyl derivatives of alkylarenes, including structural isomers of compounds containing several chloromethyl groups, directly in reaction mixtures. Chromatographic analysis of such reaction mixtures allows identification of positional isomers of the starting alkylarenes even when they are present simultaneously. The retention indices were determined for the first time for more than 50 alkyl-(chloromethyl)arenes, by-products of chloromethylation, and chloromethyl derivatives of the simplest alkyl phenyl ketones.