2,2-dimethyl-6-<2-methyl-(1,3)dithian-2-yl>2H-chromene | 155853-33-1

• 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: 2,2-dimethyl-6-<2-methyl-(1,3)dithian-2-yl>2H-chromene
• 英文别名: 2,2-Dimethyl-6-(2-methyl-1,3-dithian-2-yl)chromene
• CAS: 155853-33-1
• 化学式: C₁₆H₂₀OS₂
• 分子量: 292.466
• InChiKey: SCZRVTRPJKKLMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-6-<2-methyl-(1,3)dithian-2-yl>2H-chromene 在 mercury(II) perchlorate 作用下， 以 甲醇 为溶剂， 以90%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-methyl-2-(4-hydroxyphenyl)-1,3-dithiane 在 盐酸 、 Tonsil 、 水 、 sodium hydride 作用下， 以 乙酸乙酯 、 丙酮 为溶剂， 反应 29.5h， 生成 2,2-dimethyl-6-<2-methyl-(1,3)dithian-2-yl>2H-chromene
  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.