3-methyl-1-<(2-methoxymethylenoxy)-5-(2-methyl-(1,3)dioxan-2-yl)phenyl>-2-butenol | 155853-30-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-methyl-1-<(2-methoxymethylenoxy)-5-(2-methyl-(1,3)dioxan-2-yl)phenyl>-2-butenol
• 英文别名: 1-[2-(Methoxymethoxy)-5-(2-methyl-1,3-dioxolan-2-yl)phenyl]-3-methylbut-2-en-1-ol
• CAS: 155853-30-8
• 化学式: C₁₇H₂₄O₅
• 分子量: 308.375
• InChiKey: HIQFGZFEIDQDJY-UHFFFAOYSA-N

物化性质

• 沸点：
  436.4±45.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methyl-1-<(2-methoxymethylenoxy)-5-(2-methyl-(1,3)dioxan-2-yl)phenyl>-2-butenol 在 盐酸 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以17%的产率得到2,2-二甲基-6-乙酰基-2H-1-苯并吡喃
  参考文献：
  名称：

  A New Synthesis of Desmethoxyencecalin

  摘要：

  A new synthesis of the title compound using aryllithium salts as key intermediates is described. The synthetic approach is mainly based on a cyclization reaction that mimics the process by which is believed benzopyran rings are formed in nature.

  DOI：

  10.1080/00397919408020776
• 作为产物：
  描述：

  2-(4-hydroxyphenyl)-2-methyl-1,3-dioxolane 在 正丁基锂 、 sodium hydride 作用下， 反应 3.5h， 生成 3-methyl-1-<(2-methoxymethylenoxy)-5-(2-methyl-(1,3)dioxan-2-yl)phenyl>-2-butenol
  参考文献：
  名称：

  A New Synthesis of Desmethoxyencecalin

  摘要：

  A new synthesis of the title compound using aryllithium salts as key intermediates is described. The synthetic approach is mainly based on a cyclization reaction that mimics the process by which is believed benzopyran rings are formed in nature.

  DOI：

  10.1080/00397919408020776

文献信息

• A New Synthesis of Desmethoxyencecalin
  作者：R. Cruz-Almanza、F. Pérez-Flores、J. Cárdenas、C. Vázquez、A. Fuentes

  DOI：10.1080/00397919408020776

  日期：1994.4

  A new synthesis of the title compound using aryllithium salts as key intermediates is described. The synthetic approach is mainly based on a cyclization reaction that mimics the process by which is believed benzopyran rings are formed in nature.