7H-Furo[3,2-g][1]benzopyran-7-one, 2-bromo-9-methyl- | 189831-95-6

• 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: 7H-Furo[3,2-g][1]benzopyran-7-one, 2-bromo-9-methyl-
• 英文别名: 2-bromo-9-methylfuro[3,2-g]chromen-7-one
• CAS: 189831-95-6
• 化学式: C₁₂H₇BrO₃
• 分子量: 279.09
• InChiKey: MLLVXPKUZABOBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-Methyl-2-trimethylsilylfuro[3,2-g]chromen-7-one 在 N-溴代丁二酰亚胺(NBS) 、 四丁基二氟三苯硅酸铵 作用下， 以 四氢呋喃 为溶剂， 以62%的产率得到7H-Furo[3,2-g][1]benzopyran-7-one, 2-bromo-9-methyl-
  参考文献：
  名称：

  A new synthesis of 8-methylpsoralen utilizing a palladium-copper catalyzed reaction to generate the furan ring and thus allowing for the generation of novel analogs in the 5′-position

  摘要：

  A rapid synthesis of 8-methylpsoralen is reported that utilizes a palladium-copper catalyzed reaction to generate the furan ring. Since 8-methylpsoralen is considered one of the most photodynamic methylpsoralens known and given the fact that psoralens in general have been shown to have medicinal value against bacteria and viruses, this synthesis allows for the availability to generate new derivatives by supplying a handle in the 5'-position. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00509-1

文献信息

• A new synthesis of 8-methylpsoralen utilizing a palladium-copper catalyzed reaction to generate the furan ring and thus allowing for the generation of novel analogs in the 5′-position
  作者：Brian M. Aquila

  DOI：10.1016/s0040-4039(97)00509-1

  日期：1997.4

  A rapid synthesis of 8-methylpsoralen is reported that utilizes a palladium-copper catalyzed reaction to generate the furan ring. Since 8-methylpsoralen is considered one of the most photodynamic methylpsoralens known and given the fact that psoralens in general have been shown to have medicinal value against bacteria and viruses, this synthesis allows for the availability to generate new derivatives by supplying a handle in the 5'-position. (C) 1997 Elsevier Science Ltd.