2-methyl-1-p-tolyl-propane-1,2-diol | 330551-26-3

• 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-methyl-1-p-tolyl-propane-1,2-diol
• 英文别名: (+/-)-1.2-Dihydroxy-2-methyl-1-p-tolyl-propan；2-Methyl-1-p-tolyl-propan-1,2-diol；4-(α.β-Dioxy-isobutyl)-toluol；4¹.4²-Dioxy-1-methyl-4-isobutyl-benzol；α.α-Dimethyl-α'-p-tolyl-aethylenglykol；2-Methyl-1-(4-methylphenyl)propane-1,2-diol
• CAS: 330551-26-3
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: RWEKKGXVYOYROM-UHFFFAOYSA-N

物化性质

• 熔点：
  56.5-57.5 °C(Solv: ligroine (8032-32-4))
• 沸点：
  168 °C(Press: 14 Torr)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-1-p-tolyl-propane-1,2-diol 在 硫酸 作用下， 生成 2-methyl-2-(4-methylphenyl)propionaldehyde
  参考文献：
  名称：

  v. Auwers, Chemische Berichte, 1916, vol. 49, p. 2400

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲基苯羟乙酸 在 硫酸 作用下， 生成 2-methyl-1-p-tolyl-propane-1,2-diol
  参考文献：
  名称：

  v. Auwers, Chemische Berichte, 1916, vol. 49, p. 2400

  摘要：

  DOI：

文献信息

• Tiffeneau; Levy, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1927, vol. 184, p. 1467
  作者：Tiffeneau、Levy

  DOI：——

  日期：——
• Tiffeneau; Levy, Bulletin de la Societe Chimique de France, 1931, vol. <4> 49, p. 1738,1746
  作者：Tiffeneau、Levy

  DOI：——

  日期：——
• Heterogeneous reactions with zinc. II. General synthesis of ketones from 1,2-trisubstituted glycol monoesters and the mechanism of the serini reaction
  作者：Eugene Ghera

  DOI：10.1021/jo00828a025

  日期：1970.3
• Unusual Head-to-Tail Coupling of Alkyl Benzoates by Electroreduction
  作者：Naoki Kise、Yoshihiko Hirata、Nasuo Ueda

  DOI：10.1021/jo0013599

  日期：2001.2.1

  The electroreduction of alkyl benzoates in an alcoholic solvent gave unusual head-to-tail coupled products. Usual head-to-head coupled products derived from acyloin condensation could not be detected. The best result (73% yield) was obtained from methyl benzoate using an undivided cell with an Sn cathode in i-PrOH containing tetraalkylammonium salt sis a supporting electrolyte. Using an undivided cell, the products cross-coupled with a solvent molecule were obtained as byproducts. The substitution at the para position of methyl benzoate considerably decreased the yields of the head-to-tail coupled products and increased those of the cross-coupled products. The possible mechanism of the head-to-tail coupling is the attack of anion radical, generated from methyl benzoate by one-electron transfer, to another methyl benzoate. The cross-coupled products were formed by the reaction with carbonyl compound anodically produced from a solvent molecule. The cross-coupling between methyl benzoate and aromatic aldehydes was also effected by the mixed electroreduction under the same conditions.
• v. Auwers, Chemische Berichte, 1916, vol. 49, p. 2400
  作者：v. Auwers

  DOI：——

  日期：——