2-Methyl-2-(4-diphenylmethyl-phenyl)-propionsaeure-methylester | 13210-95-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-Methyl-2-(4-diphenylmethyl-phenyl)-propionsaeure-methylester
• 英文别名: Methyl 2-(4-benzhydrylphenyl)-2-methylpropanoate
• CAS: 13210-95-2
• 化学式: C₂₄H₂₄O₂
• 分子量: 344.453
• InChiKey: ZPXFNUWWTFYUGG-UHFFFAOYSA-N

物化性质

• 沸点：
  446.1±14.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-(4-diphenylmethyl-phenyl)-propionsaeure-methylester 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 p-Diphenylmethyl-α,α-dimethylphenylessigsaeure
  参考文献：
  名称：

  Electrophilic Substitution at Saturated Carbon. XXVI. Base-Catalyzed Intramolecular 1,3- and 1,5-Proton Transfer^1,2

  摘要：

  DOI：

  10.1021/ja00964a026
• 作为产物：
  描述：

  7,7-Diphenyl-p-mentha-1(7),2,5-trien-8-carbonsaere-methylester 在 三乙烯二胺 作用下， 以 1,4-二氧六环 、 叔丁醇 为溶剂， 生成 2-Methyl-2-(4-diphenylmethyl-phenyl)-propionsaeure-methylester
  参考文献：
  名称：

  Electrophilic Substitution at Saturated Carbon. XXVI. Base-Catalyzed Intramolecular 1,3- and 1,5-Proton Transfer^1,2

  摘要：

  DOI：

  10.1021/ja00964a026

文献信息

• Dissociation and aromatization of a semibenzene. Reactions of triphenylmethyl and methyl isobutyryl radicals
  作者：Paul S. Engel、Yanqiu Chen、Chengrong Wang

  DOI：10.1021/jo00009a028

  日期：1991.4

  Semibenzene 4, which can be regarded as the recombination product of triphenylmethyl and methyl isobutyryl radicals (5), affords exactly these intermediates on thermolysis or inefficiently on direct photolysis. Recombination and disproportionation of these dissimilar radicals proceeds with a much lower barrier than the dimerization of triphenylmethyl. Whereas thiophenol or triplet 9-fluorenone aromatize 4, thermolysis in the presence of 1,4-cyclohexadiene allows trapping of 5 and oligomeric radical 13. From the measured heat of aromatization (22.0 kcal/mol), the C-H bond dissociation enthalpy of 4 and its analogue lacking the side chain (''p-isotriphenylmethane'') is calculated to be 54 kcal/mol, the lowest value known for any closed-shell, neutral hydrocarbon. Exposure of 4 to the atmosphere causes rapid autoxidation to hydroperoxide 19, which thermolyzes in the GC to aromatic ketones and phenols instead of undergoing a 1,2-aryl shift.
• ENGEL, PAUL S.;CHEN, YANQIU;WANG, CHENGRONG, J. ORG. CHEM., 56,(1991) N, C. 3073-3079
  作者：ENGEL, PAUL S.、CHEN, YANQIU、WANG, CHENGRONG

  DOI：——

  日期：——