7-benzyl-3'-phenyltetrazolyldiosmetin | 771481-08-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-benzyl-3'-phenyltetrazolyldiosmetin
• 英文别名: 5-Hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
• CAS: 771481-08-4
• 化学式: C₃₀H₂₂N₄O₆
• 分子量: 534.528
• InChiKey: DFUGHEPETJMFPT-UHFFFAOYSA-N

物化性质

• 熔点：
  210-214 °C(Solv: methanol (67-56-1))
• 沸点：
  787.6±70.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-benzyl-3'-phenyltetrazolyldiosmetin 在 palladium on activated charcoal 甲酸铵 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 5-羟基-4',7-二甲氧基黄酮
  参考文献：
  名称：

  Semisynthesis of Linarin, Acacetin, and 6-Iodoapigenin Derivatives from Diosmin

  摘要：

  Semisynthesis of linarin and acacetin from the Citrus flavonoid diosmin was performed via, as first intermediate, the 3'-O-phenyltetrazolyl ether of diosmin. This paper relates also a semisynthetic access to 6-iodoapigenin derivatives, which are key compounds in the synthesis of some biflavonoids such as robustaflavone.

  DOI：

  10.1021/np040079b
• 作为产物：
  描述：

  香叶木素 在 potassium hydrogencarbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 7-benzyl-3'-phenyltetrazolyldiosmetin
  参考文献：
  名称：

  Semisynthesis of Linarin, Acacetin, and 6-Iodoapigenin Derivatives from Diosmin

  摘要：

  Semisynthesis of linarin and acacetin from the Citrus flavonoid diosmin was performed via, as first intermediate, the 3'-O-phenyltetrazolyl ether of diosmin. This paper relates also a semisynthetic access to 6-iodoapigenin derivatives, which are key compounds in the synthesis of some biflavonoids such as robustaflavone.

  DOI：

  10.1021/np040079b

文献信息

• Semisynthesis of Linarin, Acacetin, and 6-Iodoapigenin Derivatives from Diosmin
  作者：Jérôme Quintin、Guy Lewin

  DOI：10.1021/np040079b

  日期：2004.9.1

  Semisynthesis of linarin and acacetin from the Citrus flavonoid diosmin was performed via, as first intermediate, the 3'-O-phenyltetrazolyl ether of diosmin. This paper relates also a semisynthetic access to 6-iodoapigenin derivatives, which are key compounds in the synthesis of some biflavonoids such as robustaflavone.