6-dichloromethyl-6-methylcyclohexyl-2,4-dien-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-dichloromethyl-6-methylcyclohexyl-2,4-dien-1-one
• 英文别名: (6S)-6-(dichloromethyl)-6-methylcyclohexa-2,4-dien-1-one
• 化学式: C₈H₈Cl₂O
• 分子量: 191.057
• InChiKey: HAIJPBJRKQUVEB-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-dichloromethyl-6-methylcyclohexyl-2,4-dien-1-one 以95%的产率得到1,7-dimethyl-1,7-bis(dichloromethyl)-5,8-ethenodecalin-3-ene-2,6-dione
  参考文献：
  名称：

  1,7-Dimethyl-1,7-dichloromethyl-5,8-ethenodecalin-3-ene-2,6-dione. Structure, bromination, electrochemistry

  摘要：

  The structures of 1,7-dimethyl-1,7-bis(dichloromethyl)-5,8-ethenodecalin-3-ene-2,6-dione, the dimer of 6-methyl-6-dichloromethyl-cyclohexa-2,4-dien-1-one, and of products of its bromination were established by XRD analysis. The dependence of composition of the products of bromination on the ratio of reactants was established. Electrochemical reduction of the dione and its bromine-containing derivatives was studied.

  DOI：

  10.1134/s1070363212060151