2,6-dimethyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran | 73047-42-4

• 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: 2,6-dimethyl-2-(4-methylpent-3-enyl)-2H-1-benzopyran
• 英文别名: 2,6-dimethyl-2-(4-methylpent-3-enyl)chromene
• CAS: 73047-42-4
• 化学式: C₁₇H₂₂O
• 分子量: 242.361
• InChiKey: UONPHRWUVGUBHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  芳樟醇 在 palladium diacetate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.5h， 生成 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

文献信息

• CARDILLO G.; ORENA M.; PORZI G.; SANDRI S., J. CHEM. SOC. CHEM. COMMUN., 1979, NO 19, 836-837
  作者：CARDILLO G.、 ORENA M.、 PORZI G.、 SANDRI S.

  DOI：——

  日期：——
• 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.