1-(2-hydroxy-5-methylphenyl)-3,7-dimethylocta-1,6-dien-3-ol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-(2-hydroxy-5-methylphenyl)-3,7-dimethylocta-1,6-dien-3-ol
• 英文别名: 2-[(1E)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-4-methylphenol
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: LTNDCLBRCPULCX-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  1-(2-hydroxy-5-methylphenyl)-3,7-dimethylocta-1,6-dien-3-ol 反应 0.5h， 以95%的产率得到2,6-dimethyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran
  参考文献：
  名称：

  Synthesis of various 2H-benzopyran compounds and their kinetic resolution by asymmetric hydrolysis of their racemic acetates mediated by lipases

  摘要：

  The preparation of 2H-benzopyrans from bromophenols and tertiary allylic alcohols is described. The reaction is characterised by its mildness, good yields and ease of work-up. Kinetic resolution of the latter up to 95% ee was obtained by using enzyme-catalysed enantioselective hydrolysis. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(00)00176-2
• 作为产物：
  描述：

  芳樟醇 、 2-溴-4-甲基苯酚 在 palladium diacetate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以76%的产率得到1-(2-hydroxy-5-methylphenyl)-3,7-dimethylocta-1,6-dien-3-ol
  参考文献：
  名称：

  Synthesis of various 2H-benzopyran compounds and their kinetic resolution by asymmetric hydrolysis of their racemic acetates mediated by lipases

  摘要：

  The preparation of 2H-benzopyrans from bromophenols and tertiary allylic alcohols is described. The reaction is characterised by its mildness, good yields and ease of work-up. Kinetic resolution of the latter up to 95% ee was obtained by using enzyme-catalysed enantioselective hydrolysis. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(00)00176-2

文献信息

• Expeditious preparation of various Δ9-6a,10a cis and trans 2-substituted tetrahydrocannabinoids
  作者：Jean-Yves Goujon、Françoise Zammattio、Bernard Kirschleger

  DOI：10.1039/b203366f

  日期：2002.6.27

  The one-step preparation of various cis and trans 2-substituted tetrahydrocannabinoids (Δ9-THC) from aryl tertiary allylic alcohols is described. The reactions are characterized by their mild conditions, good yields and ease of work-up.

  的一步法各种的制备顺式和反式2-取代tetrahydrocannabinoids（Δ 9 -THC）从芳基 第三烯丙基 酒类描述。该反应的特征在于其温和的条件，良好的收率和易于后处理。
• Synthesis of various 2H-benzopyran compounds and their kinetic resolution by asymmetric hydrolysis of their racemic acetates mediated by lipases
  作者：J.Y Goujon、F Zammattio、B Kirschleger

  DOI：10.1016/s0957-4166(00)00176-2

  日期：2000.6

  The preparation of 2H-benzopyrans from bromophenols and tertiary allylic alcohols is described. The reaction is characterised by its mildness, good yields and ease of work-up. Kinetic resolution of the latter up to 95% ee was obtained by using enzyme-catalysed enantioselective hydrolysis. (C) 2000 Elsevier Science Ltd. All rights reserved.