3-(3,5-dibenzyloxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one | 863310-39-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(3,5-dibenzyloxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
• 英文别名: 3-[3,5-Bis(phenylmethoxy)phenyl]-5,7-dimethoxychromen-2-one；3-[3,5-bis(phenylmethoxy)phenyl]-5,7-dimethoxychromen-2-one
• CAS: 863310-39-8
• 化学式: C₃₁H₂₆O₆
• 分子量: 494.544
• InChiKey: HBJUVKZEGWOEEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3,5-dibenzyloxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one 在 palladium on activated charcoal 、 lithium aluminium tetrahydride 、 三氯化铝 氢气 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 苯 为溶剂， 反应 11.0h， 生成 5-(4,6-二甲氧基苯并呋喃-2-基)-1,3-苯二酚
  参考文献：
  名称：

  A Short-step Convenient Synthesis of 2-Phenylbenzofuran from 3-Phenylcoumarin

  摘要：

  The reaction mechanism of chemical conversion of (E)-beta-[2-hydroxylphenylcthylene]benzeneethanol into 2-phenylbenzofuran by DDQ, which involves loss of one carbon unit, was characterized and described. Five naturally occurring 2-phenylbenzofurans of not only the isoflavonoid but also stilbenoid origin were synthesized by use of this chemical scheme, which proved that this new scheme is a useful tool for quick synthesis of 2-phenylbenzofurans.

  DOI：

  10.3987/com-05-10424
• 作为产物：
  描述：

  重氮甲烷 、 以 四氢呋喃 、 乙醚 为溶剂， 生成 3-(3,5-dibenzyloxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
  参考文献：
  名称：

  A Short-step Convenient Synthesis of 2-Phenylbenzofuran from 3-Phenylcoumarin

  摘要：

  The reaction mechanism of chemical conversion of (E)-beta-[2-hydroxylphenylcthylene]benzeneethanol into 2-phenylbenzofuran by DDQ, which involves loss of one carbon unit, was characterized and described. Five naturally occurring 2-phenylbenzofurans of not only the isoflavonoid but also stilbenoid origin were synthesized by use of this chemical scheme, which proved that this new scheme is a useful tool for quick synthesis of 2-phenylbenzofurans.

  DOI：

  10.3987/com-05-10424

文献信息

• A Short-step Convenient Synthesis of 2-Phenylbenzofuran from 3-Phenylcoumarin
  作者：Takeshi Kinoshita、Koji Ichinose

  DOI：10.3987/com-05-10424

  日期：——

  The reaction mechanism of chemical conversion of (E)-beta-[2-hydroxylphenylcthylene]benzeneethanol into 2-phenylbenzofuran by DDQ, which involves loss of one carbon unit, was characterized and described. Five naturally occurring 2-phenylbenzofurans of not only the isoflavonoid but also stilbenoid origin were synthesized by use of this chemical scheme, which proved that this new scheme is a useful tool for quick synthesis of 2-phenylbenzofurans.