3,3,3-trichloro-1,1-dimethyl-propyl | 52720-14-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 3,3,3-trichloro-1,1-dimethyl-propyl
• CAS: 52720-14-6
• 化学式: C₅H₈Cl₃
• 分子量: 174.478
• InChiKey: RCGMQBOMGBIFAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  8.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  3,3,3-trichloro-1,1-dimethyl-propyl 、 丙烯酸甲酯（MA） 生成
  参考文献：
  名称：

  ESR spectroscopic investigation of steric and polar factors in the addition of radicals to unsaturated compounds

  摘要：

  The rate constants of the addition of CCl3CH2CClCH3(R6) radicals to alpha-methyl-styrene, styrene, methyl methacrylate, methyl acrylate, and acrylonitrile and of CCl3CH2C(CH3)2(R7) radicals to styrene, methyl acrylate, and acrylonitrile were determined by ESR spectroscopy. It was shown that the radicals R6 and R7 possess approximately equal reactivity in addition to unsaturated compounds, despite the difference in the donor-acceptor properties of the substituents at the vinyl group. In a comparison of the reactivity of radicals R6 and R7 with the reactivity of radicals CCl3CH2CH2(R1), CCl3CH2CHCH3(R3), CCl3CH2-CHCl(R4), and ClCH2CH2CCl2(R5) [1] in addition reactions, it was shown that polar and steric effects of the substituents situated in the alpha-position to the radical site of the above-mentioned radicals, as well as the donor-acceptor properties of the substituents at the vinyl group in the unsaturated compounds, lead to appreciable changes in reactivity.

  DOI：

  10.1007/bf00863922