3-methyl-1-<2(tetrahydropyran-4-yloxy)-5-(2-methyl-(1,3)-dithian-2-yl)phenyl>-2-butenol | 155853-32-0

• 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(tetrahydropyran-4-yloxy)-5-(2-methyl-(1,3)-dithian-2-yl)phenyl>-2-butenol
• 英文别名: 3-Methyl-1-[5-(2-methyl-1,3-dithian-2-yl)-2-(oxan-2-yloxy)phenyl]but-2-en-1-ol
• CAS: 155853-32-0
• 化学式: C₂₁H₃₀O₃S₂
• 分子量: 394.599
• InChiKey: QNAOEQPZTWWALH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  89.3
• 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(tetrahydropyran-4-yloxy)-5-(2-methyl-(1,3)-dithian-2-yl)phenyl>-2-butenol 在 mercury(II) perchlorate 、 Tonsil 、 水 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 4.0h， 生成 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-methyl-2-(4-hydroxyphenyl)-1,3-dithiane 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 为溶剂， 反应 25.5h， 生成 3-methyl-1-<2(tetrahydropyran-4-yloxy)-5-(2-methyl-(1,3)-dithian-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.