4-[1-(4-Hydroxyphenyl)ethyl]-5-methylbenzene-1,3-diol | 156998-32-2

• 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: 4-[1-(4-Hydroxyphenyl)ethyl]-5-methylbenzene-1,3-diol
• 英文别名: 4-[1-(4-hydroxyphenyl)ethyl]-5-methylbenzene-1,3-diol
• CAS: 156998-32-2
• 化学式: C₁₅H₁₆O₃
• 分子量: 244.29
• InChiKey: KRXSLUWZEBPRRR-UHFFFAOYSA-N

物化性质

• 沸点：
  428.1±14.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 4-[1-(4-Hydroxyphenyl)ethyl]-5-methylbenzene-1,3-diol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以8 mg的产率得到1,5-Dimethoxy-2-[1-(4-methoxy-phenyl)-ethyl]-3-methyl-benzene
  参考文献：
  名称：

  Isolation and Chemical Characterization of a New Constituent of Cape Aloe Having the 1,1-Diphenylethane Skeleton

  摘要：

  The structure of a new constituent of Cape aloe was determined by spectral analysis and confirmed by total synthesis. This 1,1-diphenylethane derivative (6), which occurs in the drug in racemic form, was also obtained by thermal reaction of p-coumaric acid with orsellinic acid (or orcinol). These facts are consistent with a nonenzymatic origin of 6, which can be regarded as the first process product isolated from aloe.

  DOI：

  10.1021/jf00045a032
• 作为产物：
  描述：

  4-香豆酸 、 2,4-二羟基-6-甲基苯甲酸 反应 2.0h， 以2%的产率得到4-[1-(4-Hydroxyphenyl)ethyl]-5-methylbenzene-1,3-diol
  参考文献：
  名称：

  Isolation and Chemical Characterization of a New Constituent of Cape Aloe Having the 1,1-Diphenylethane Skeleton

  摘要：

  The structure of a new constituent of Cape aloe was determined by spectral analysis and confirmed by total synthesis. This 1,1-diphenylethane derivative (6), which occurs in the drug in racemic form, was also obtained by thermal reaction of p-coumaric acid with orsellinic acid (or orcinol). These facts are consistent with a nonenzymatic origin of 6, which can be regarded as the first process product isolated from aloe.

  DOI：

  10.1021/jf00045a032

文献信息

• Isolation and Chemical Characterization of a New Constituent of Cape Aloe Having the 1,1-Diphenylethane Skeleton
  作者：Giovanna Speranza、Sandra Corti、Paolo Manitto

  DOI：10.1021/jf00045a032

  日期：1994.9

  The structure of a new constituent of Cape aloe was determined by spectral analysis and confirmed by total synthesis. This 1,1-diphenylethane derivative (6), which occurs in the drug in racemic form, was also obtained by thermal reaction of p-coumaric acid with orsellinic acid (or orcinol). These facts are consistent with a nonenzymatic origin of 6, which can be regarded as the first process product isolated from aloe.