2-[4-(1-chloro-2-methylpropan-2-yl)phenyl]propan-2-yl hydroperoxide | 212847-89-7

• 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-[4-(1-chloro-2-methylpropan-2-yl)phenyl]propan-2-yl hydroperoxide
• 英文别名: 2-[4-(2-chloro-1,1-dimethylethyl)phenyl]propan-2-yl hydroperoxide；2-[4-(chloro-tert-butyl)phenyl]propan-2-yl hydroperoxide；2-[4-(1-Chloro-2-methylpropan-2-yl)phenyl]propane-2-peroxol；1-(1-chloro-2-methylpropan-2-yl)-4-(2-hydroperoxypropan-2-yl)benzene
• CAS: 212847-89-7
• 化学式: C₁₃H₁₉ClO₂
• 分子量: 242.746
• InChiKey: IZQWDGDLKRVECF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[4-(1-chloro-2-methylpropan-2-yl)phenyl]propan-2-yl hydroperoxide 在 硫酸 作用下， 以 丙酮 为溶剂， 反应 2.5h， 以94.4%的产率得到4-(2-chloro-1,1-dimethylethyl)phenol
  参考文献：
  名称：

  Decomposition of 2-[4-(2-chloro-1,1-dimethylethyl)phenyl]-propan-2-yl hydroperoxide catalyzed by sulfuric acid

  摘要：

  The decomposition of 2-[4-(2-chloro-1,1-dimethylethyl)phenyl]propan-2-yl hydroperoxide in acetone catalyzed by H2SO4 affords 4-(2-chloro-1,1-dimethylethyl)phenol. The kinetics of this reaction at 56 degrees C was studied.

  DOI：

  10.1007/bf02496420

文献信息

• Thermolysis of 2-[4-(chloro-tert-butyl)phenyl]propan-2-yl hydroperoxide: Kinetics and mechanism
  作者：A. M. Isupova、N. M. Andriyashina、S. A. Grabovskii、F. Z. Galin、N. N. Kabal’nova

  DOI：10.1134/s0965544107050088

  日期：2007.9

  The kinetic features and products of the thermolysis of 2-[4-(chloro-tert-butyl)phenyl]propan-2-yl hydroperoxide in the temperature range 120-190 degrees C have been studied. The mechanism of the process is discussed.
• Decomposition of 2-[4-(2-chloro-1,1-dimethylethyl)phenyl]-propan-2-yl hydroperoxide catalyzed by sulfuric acid
  作者：F. Z. Galin、N. M. andriyashina、T. V. Le、Yu. V. Tomilov、V. V. Shereshovets

  DOI：10.1007/bf02496420

  日期：1999.8

  The decomposition of 2-[4-(2-chloro-1,1-dimethylethyl)phenyl]propan-2-yl hydroperoxide in acetone catalyzed by H2SO4 affords 4-(2-chloro-1,1-dimethylethyl)phenol. The kinetics of this reaction at 56 degrees C was studied.