[8-3H]ipriflavone

• 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: [8-3H]ipriflavone
• 英文别名: 3-Phenyl-7-propan-2-yloxy-8-tritiochromen-4-one
• 化学式: C₁₈H₁₆O₃
• 分子量: 282.315
• InChiKey: SFBODOKJTYAUCM-OAWTUDSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  依普黄酮 在 1,3-丙二醇 吡啶 、 氢气 、 溴 、 三乙胺 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 [8-3H]ipriflavone
  参考文献：
  名称：

  Tritium labeling of 7‐ iso propoxy iso flavone

  摘要：

  Catalytic tritiodehalogenation of 8-bromoipriflavone and 6,8-dibromoipriflavone resulted in [8-H-3]ipriflavone (3) and [6,8-H-3(2)]ipriflavone (7) with specific activities of 1.08 TBq/mmol (29.2 Ci/mmol) and 1.94 TBq/mmol (52.4 Ci/mmol), respectively. 8-Bromoipriflavone was synthesized by direct bromination of ipriflavone, while 6,8-dibromoipriflavone was formed by isopropylation of the phenolic OH group of 6,8-dibromo-7-hydroxyisoflavone which itself was prepared from 7-hydroxyisoflavone and elemental bromine.

  DOI：

  10.1002/(sici)1099-1344(199905)42:5<497::aid-jlcr212>3.0.co;2-#

文献信息

• Tritium labeling of 7‐ <i>iso</i> propoxy <i>iso</i> flavone
  作者：Ferenc Ötvös、Géza Tóth、István Szatmári、Ferenc Lévai

  DOI：10.1002/(sici)1099-1344(199905)42:5<497::aid-jlcr212>3.0.co;2-#

  日期：1999.5

  Catalytic tritiodehalogenation of 8-bromoipriflavone and 6,8-dibromoipriflavone resulted in [8-H-3]ipriflavone (3) and [6,8-H-3(2)]ipriflavone (7) with specific activities of 1.08 TBq/mmol (29.2 Ci/mmol) and 1.94 TBq/mmol (52.4 Ci/mmol), respectively. 8-Bromoipriflavone was synthesized by direct bromination of ipriflavone, while 6,8-dibromoipriflavone was formed by isopropylation of the phenolic OH group of 6,8-dibromo-7-hydroxyisoflavone which itself was prepared from 7-hydroxyisoflavone and elemental bromine.