5-benzyloxy-2,2-dimethylchroman | 73402-57-0

• 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: 5-benzyloxy-2,2-dimethylchroman
• 英文别名: 5-benzyloxy-8-methoxy-2,2-dimethyl-chroman-6-carbaldehyde
• CAS: 73402-57-0
• 化学式: C₂₀H₂₂O₄
• 分子量: 326.392
• InChiKey: FWSCQFVEIZJJOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.19
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-benzyloxy-2,2-dimethylchroman 在 盐酸 、 氢氧化钾 作用下， 以 吡啶 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Facile synthesis of polyhydroxycoumaronochromones with quinones: synthesis of alkylpolyhydroxy- and alkoxycoumaronochromones from 2′-hydroxyisoflavones

  摘要：

  4 ' ,5,7-Trihydroxy- or 8-alkyl-4 ' .5,7-trihvclroxycoumaronochromones were synthesized by oxidative cyclization of the corresponding 2 ' -hydroxyisoflavones with o-chloranil under mild conditions. By contrast, alkoxycoumaronochromones were synthesized by oxidative cyclization of the corresponding 2 ' -hydroxyisoflavones with DDQ. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01234-5
• 作为产物：
  描述：

  2,4-dihydroxy-5-methoxy-3-(3-methyl-2-butenyl)benzaldehyde 在 盐酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-benzyloxy-2,2-dimethylchroman
  参考文献：
  名称：

  Facile synthesis of polyhydroxycoumaronochromones with quinones: synthesis of alkylpolyhydroxy- and alkoxycoumaronochromones from 2′-hydroxyisoflavones

  摘要：

  4 ' ,5,7-Trihydroxy- or 8-alkyl-4 ' .5,7-trihvclroxycoumaronochromones were synthesized by oxidative cyclization of the corresponding 2 ' -hydroxyisoflavones with o-chloranil under mild conditions. By contrast, alkoxycoumaronochromones were synthesized by oxidative cyclization of the corresponding 2 ' -hydroxyisoflavones with DDQ. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01234-5