8-bromomethyl-chromen-2-one | 54893-05-9

• 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: 8-bromomethyl-chromen-2-one
• 英文别名: 8-(Bromomethyl)chromen-2-one；8-(bromomethyl)chromen-2-one
• CAS: 54893-05-9
• 化学式: C₁₀H₇BrO₂
• 分子量: 239.068
• InChiKey: AWSNZVQFLCJRJN-UHFFFAOYSA-N

物化性质

• 沸点：
  385.5±42.0 °C(Predicted)
• 密度：
  1.630±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-bromomethyl-chromen-2-one 在 盐酸 、 乌洛托品 作用下， 生成 2-oxo-2H-chromene-8-carbaldehyde
  参考文献：
  名称：

  Coumarin 1,4-Dihydropyridine Derivatives

  摘要：

  A series of 1,4-dihydropyridines bearing a coumarin moiety in 4-position was synthesized. The compounds were evaluated for inotropic, chronotropic and calcium antagonist activities. The replacement of the o-nitrophenyl moiety of nifedipine with a coumarin or phenylcoumarin system is accompained by a decrease of the activity on myocardial and vascular parameters, but the synthesized compounds showed selective inhibiting effects on cardiac contractility and frequency. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00037-6
• 作为产物：
  描述：

  8-methylcoumarin 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 以70%的产率得到8-bromomethyl-chromen-2-one
  参考文献：
  名称：

  Coumarin 1,4-Dihydropyridine Derivatives

  摘要：

  A series of 1,4-dihydropyridines bearing a coumarin moiety in 4-position was synthesized. The compounds were evaluated for inotropic, chronotropic and calcium antagonist activities. The replacement of the o-nitrophenyl moiety of nifedipine with a coumarin or phenylcoumarin system is accompained by a decrease of the activity on myocardial and vascular parameters, but the synthesized compounds showed selective inhibiting effects on cardiac contractility and frequency. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00037-6