[4-(2-Acetyl-5-methoxyphenoxy)carbonyl-2,6-ditert-butylphenyl] 3,5-ditert-butyl-4-hydroxybenzoate | 328387-98-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [4-(2-Acetyl-5-methoxyphenoxy)carbonyl-2,6-ditert-butylphenyl] 3,5-ditert-butyl-4-hydroxybenzoate
• 英文别名: [4-(2-acetyl-5-methoxyphenoxy)carbonyl-2,6-ditert-butylphenyl] 3,5-ditert-butyl-4-hydroxybenzoate
• CAS: 328387-98-0
• 化学式: C₃₉H₅₀O₇
• 分子量: 630.822
• InChiKey: UYHVCPJITCESLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [4-(2-Acetyl-5-methoxyphenoxy)carbonyl-2,6-ditert-butylphenyl] 3,5-ditert-butyl-4-hydroxybenzoate 在 sodium hydroxide 、 硫酸 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 反应 7.0h， 生成 2-(3,5-Ditert-butyl-4-hydroxyphenyl)-7-methoxychromen-4-one
  参考文献：
  名称：

  Beneficial effects of different flavonoids, on functional recovery after ischemia and reperfusion in isolated rat heart

  摘要：

  Three newly synthesised lipid peroxidation inhibitors (7, 11, 14) were evaluated for their effects on myocardial functional recovery during reperfusion after 30 min global ischemia in isolated rat hearts. The flavonoid compounds (7, 11, 14, rutin) reduce ischemia/reperfusion-induced cardiac dysfunction. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00589-8
• 作为产物：
  描述：

  丹皮酚 、 3,5-di-tert-butyl-4-hydroxybenzoyl chloride 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 2.0h， 以57%的产率得到[4-(2-Acetyl-5-methoxyphenoxy)carbonyl-2,6-ditert-butylphenyl] 3,5-ditert-butyl-4-hydroxybenzoate
  参考文献：
  名称：

  Beneficial effects of different flavonoids, on functional recovery after ischemia and reperfusion in isolated rat heart

  摘要：

  Three newly synthesised lipid peroxidation inhibitors (7, 11, 14) were evaluated for their effects on myocardial functional recovery during reperfusion after 30 min global ischemia in isolated rat hearts. The flavonoid compounds (7, 11, 14, rutin) reduce ischemia/reperfusion-induced cardiac dysfunction. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00589-8