1-(2,5-dimethoxyphenyl)-1-(2,5-phenyl)-2-methylpropane | 138002-60-5

• 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: 1-(2,5-dimethoxyphenyl)-1-(2,5-phenyl)-2-methylpropane
• 英文别名: 1-(2,5-dimethoxyphenyl)-1-[2,5-(dimethoxy-(2)H6)phenyl]-2-methylpropane；1-[1-[2,4-Bis(trideuteriomethoxy)phenyl]-2-methylpropyl]-2,4-dimethoxybenzene
• CAS: 138002-60-5
• 化学式: C₂₀H₂₆O₄
• 分子量: 336.376
• InChiKey: ZVJUREZYXHPGCQ-OVJRARTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二甲氧基苯甲醛 在 硫酸 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 反应 24.0h， 生成 1-(2,5-dimethoxyphenyl)-1-(2,5-phenyl)-2-methylpropane
  参考文献：
  名称：

  Dimethoxy Aromatic Compounds. VIII. Degenerate Dealkylation-Realkylation Reaction of 1-Bis(2,4-dimethoxyphenyl)-2-methylpropane.

  摘要：

  苄醇1、2和3与六氘代二甲氧基苯4、5和6在酸性条件下的缩合反应分别产生预期的六氘代双(二甲氧基苯基)-2-甲基丙烷7、8和9。然而，十二碳和未标记的1-双(2, 4-二甲氧基苯基)-2-甲基丙烷10和11的存在表明9经历了快速简并脱烷基化-烷基化反应。

  DOI：

  10.1248/cpb.42.375

文献信息

• Hydrogen-carbon, carbon-carbon double rearrangement induced by proximity effects. 1-formation of methoxybenzyl ions in the electron impact mass spectra of substituted 1,1-bis(dimethoxyphenyl)methanes
  作者：Leopoldo Ceraulo、Maria Concetta Natoli、Pasquale Agozzino、Mirella Ferrugia、Liliana Lamrtina

  DOI：10.1002/oms.1210261010

  日期：1991.10

  AbstractThe 75 eV electron impact mass spectra of 1,1‐bis(dimethoxyphenyl)methanes bearing o‐methoxy groups are dominated by intense peaks corresponding, at least formally, to benzyl ions [(CH3O)2C6H3CH2]+ (b). They arise from ions [((CH3O)2C6H3)2CH]+ (a), which are in turn formed from molecular ions by loss of an alkyl radical through benzylic cleavage. The analysis of compounds labelled with 2H or 13C at methoxy groups led to the determination of the mechanism. Hydrogen migration, as hydride, followed by electrophilic substitution by the methylene carbon of the phenyl methylene ether cation through a six‐centred transition state is responsible for the formation of benzylic ions b.
• Dimethoxy Aromatic Compounds. VIII. Degenerate Dealkylation-Realkylation Reaction of 1-Bis(2,4-dimethoxyphenyl)-2-methylpropane.
  作者：Maria C. NATOLI、Leopoldo CERAULO、Liliana LAMARTINA、Mirella FERRUGIA

  DOI：10.1248/cpb.42.375

  日期：——

  The condensation reaction under acid condition of the benzylic alcohols 1, 2 and 3 with the hexadeutero dimethoxybenzenes 4, 5 and 6 leads to the expected hexadeutero bis(dimethoxyphenyl)-2-methylpropanes 7, 8 and 9, respectively. However, the presence of both dodecadeutero and unlabelled 1-bis(2, 4-dimethoxyphenyl)-2-methylpropanes 10 and 11 indicates that 9 undergoes a rapid degenerate dealkylation-alkylation reaction.

  苄醇1、2和3与六氘代二甲氧基苯4、5和6在酸性条件下的缩合反应分别产生预期的六氘代双(二甲氧基苯基)-2-甲基丙烷7、8和9。然而，十二碳和未标记的1-双(2, 4-二甲氧基苯基)-2-甲基丙烷10和11的存在表明9经历了快速简并脱烷基化-烷基化反应。