2'E,2''E-3',3''-(1,4-phenylene)bis(1-(4-hydroxy-1-benzopyran-2-one-3-yl))prop-2-en-1-one | 1637484-98-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2'E,2''E-3',3''-(1,4-phenylene)bis(1-(4-hydroxy-1-benzopyran-2-one-3-yl))prop-2-en-1-one
• 英文别名: 2'E,2"E-3',3"-(1,4-phenylene)bis(1-(4-hydroxy-1-benzopyran-2-one-3-yl))prop-2-en-1-one
• CAS: 1637484-98-0
• 化学式: C₃₀H₁₈O₈
• 分子量: 506.468
• InChiKey: OOHFQKFRNXQCKJ-WXUKJITCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135.02
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2'E,2''E-3',3''-(1,4-phenylene)bis(1-(4-hydroxy-1-benzopyran-2-one-3-yl))prop-2-en-1-one 、 肼 在 cellulose-sulfuric acid 作用下， 以 neat (no solvent) 为溶剂， 反应 0.05h， 以98%的产率得到5',5''-(1,4-phenylene)bis(3-(4-hydroxy-1-benzopyran-2-one-3-yl))pyrazoline
  参考文献：
  名称：

  An Efficient Synthesis of Novel Bis-Chalcones and Bis-Pyrazolines in the Presence of Cellulose Sulfuric Acid as Biodegradable Catalyst under Solvent-Free Conditions

  摘要：

  A highly efficient and practical approach for the synthesis of novel heterocyclic bis-chalcones and corresponding pyrazolines has been developed using cellulose sulfuric acid as environmentally benign, biodegradable and reusable catalyst under solvent-free conditions. The catalyst can be reused several times without significant loss of its catalytic activity.

  DOI：

  10.5935/0103-5053.20140072
• 作为产物：
  描述：

  3-乙酰基-2-羟基苯并吡喃-4-酮 、 对苯二甲醛 在 cellulose-sulfuric acid 作用下， 以 neat (no solvent) 为溶剂， 反应 0.05h， 以98%的产率得到2'E,2''E-3',3''-(1,4-phenylene)bis(1-(4-hydroxy-1-benzopyran-2-one-3-yl))prop-2-en-1-one
  参考文献：
  名称：

  An Efficient Synthesis of Novel Bis-Chalcones and Bis-Pyrazolines in the Presence of Cellulose Sulfuric Acid as Biodegradable Catalyst under Solvent-Free Conditions

  摘要：

  A highly efficient and practical approach for the synthesis of novel heterocyclic bis-chalcones and corresponding pyrazolines has been developed using cellulose sulfuric acid as environmentally benign, biodegradable and reusable catalyst under solvent-free conditions. The catalyst can be reused several times without significant loss of its catalytic activity.

  DOI：

  10.5935/0103-5053.20140072