6-acetoxy-2-methyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran | 63025-73-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-acetoxy-2-methyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran
• 英文别名: [2-Methyl-2-(4-methylpent-3-enyl)chromen-6-yl] acetate
• CAS: 63025-73-0
• 化学式: C₁₈H₂₂O₃
• 分子量: 286.371
• InChiKey: ZCUJIZADKZNERN-UHFFFAOYSA-N

物化性质

• 沸点：
  392.5±42.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-acetoxy-2-methyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以85%的产率得到cordiachromene
  参考文献：
  名称：

  A short synthesis of cordiachromene

  摘要：

  Cordiachromene was synthesized from 5-methyl hept-5-en-2-one by using a Claisen rearrangement (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01728-1
• 作为产物：
  描述：

  芳樟醇 在 4-二甲氨基吡啶 、 palladium diacetate 、 三氯化铝 、 caesium carbonate 、 三乙胺 、 乙硫醇 作用下， 以 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 7.0h， 生成 6-acetoxy-2-methyl-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

文献信息

• A short synthesis of cordiachromene
  作者：Philippe H. Kahn、Janine Cossy

  DOI：10.1016/s0040-4039(99)01728-1

  日期：1999.11

  Cordiachromene was synthesized from 5-methyl hept-5-en-2-one by using a Claisen rearrangement (C) 1999 Elsevier Science Ltd. All rights reserved.
• 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.