7,7-Diphenyl-p-mentha-1(7),2,5-trien-8-carbonsaere-methylester | 1101-55-9

• 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: 7,7-Diphenyl-p-mentha-1(7),2,5-trien-8-carbonsaere-methylester
• 英文别名: methyl 7,7-diphenyl-p-mentha-1(7),2,5-triene-8-carboxylate；2-(4-benzhydrylidene-cyclohexa-2,5-dienyl)-2-methyl-propionic acid methyl ester；2-(4-Benzhydryliden-cyclohexa-2,5-dienyl)-2-methyl-propionsaeure-methylester；2-<2-Methyl-2-(4-diphenylmethylen-cyclohexa-2,5-dienyl)>-propionsaeure-methylester；2-Methyl-2-(3-diphenylmethyl-cyclohexa-1,4-dienyl)-propionsaeure-methylester；Methyl 2-(4-benzhydrylidenecyclohexa-2,5-dien-1-yl)-2-methylpropanoate
• CAS: 1101-55-9
• 化学式: C₂₄H₂₄O₂
• 分子量: 344.453
• InChiKey: BJBZEBOXABWHSY-UHFFFAOYSA-N

物化性质

• 沸点：
  467.8±14.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  26
• 可旋转键数：
  5
• 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：

  7,7-Diphenyl-p-mentha-1(7),2,5-trien-8-carbonsaere-methylester 以40%的产率得到
  参考文献：
  名称：

  ENGEL, PAUL S.;CHEN, YANQIU;WANG, CHENGRONG, J. ORG. CHEM., 56,(1991) N, C. 3073-3079

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-二甲氧基-2-甲基丙-1-烯 、 三苯基甲基溴 在 乙醚 、 mercury dichloride 作用下， 生成 7,7-Diphenyl-p-mentha-1(7),2,5-trien-8-carbonsaere-methylester
  参考文献：
  名称：

  Ketene Acetals. XXX. Alkylation of Dimethylketene Dimethylacetal

  摘要：

  DOI：

  10.1021/ja01112a033

文献信息

• Comparison between Electron Transfer and Nucleophilic Reactivities of Ketene Silyl Acetals with Cationic Electrophiles
  作者：Shunichi Fukuzumi、Kei Ohkubo、Junzo Otera

  DOI：10.1021/jo005733g

  日期：2001.2.1

  d ketene silyl acetal (1: (Me2C=C(OMe)OSiMe3) with trityl cation salt (Ph3C+ClO4-) takes place between 1 and the carbon of para-positon of phenyl group of Ph3C+, whereas a much less sterically hindered ketene silyl acetal (3: H2C=C(OEt)OSiEt3) reacts with Ph3C+ at the central carbon of Ph3C+. The kinetic comparison indicates that the nucleophilic reactivities of ketene silyl acetals are well correlated

  研究了酮甲硅烷基缩醛与一系列对甲氧基取代的三苯甲基阳离子反应的产物和动力学，并将其与由10,10'-二甲基-9,9进行的外球电子转移反应进行了比较。 '，10，10'-四氢-9,9'-二cr啶[（AcrH）2]形成相同系列的三苯甲基阳离子以及其他电子受体。β，β-二甲基取代的烯酮甲硅烷基缩醛（1：（Me2C = C（OMe）OSiMe3）与三苯甲基阳离子盐（Ph3C + ClO4-）的反应中的CC键形成在1和对位碳之间Ph3C +的苯基正位置，而空间位阻少得多的乙烯酮甲硅烷基乙缩醛（3：H2C = C（OEt）OSiEt3）在Ph3C +的中心碳上与Ph3C +反应。
• Reetz, Manfred T.; Stephan, Wilfried, Liebigs Annalen der Chemie, 1980, # 4, p. 533 - 541
  作者：Reetz, Manfred T.、Stephan, Wilfried

  DOI：——

  日期：——
• 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.
• Electrophilic Substitution at Saturated Carbon. XXVI. Base-Catalyzed Intramolecular 1,3- and 1,5-Proton Transfer^1,2
  作者：Donald J. Cram、F. Willey、H. P. Fischer、Howard M. Relles、Donald A. Scott

  DOI：10.1021/ja00964a026

  日期：1966.6
• Ketene Acetals. XXX. Alkylation of Dimethylketene Dimethylacetal
  作者：S. M. McElvain、Clyde L. Aldridge

  DOI：10.1021/ja01112a033

  日期：1953.8