2-[(7-Methoxy-2-oxochromen-4-yl)methoxy]benzonitrile | 863288-79-3

• 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: 2-[(7-Methoxy-2-oxochromen-4-yl)methoxy]benzonitrile
• CAS: 863288-79-3
• 化学式: C₁₈H₁₃NO₄
• 分子量: 307.306
• InChiKey: UCGMNZVVAMWIMK-UHFFFAOYSA-N

物化性质

• 沸点：
  544.8±50.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  68.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(7-Methoxy-2-oxochromen-4-yl)methoxy]benzonitrile 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 4-(3-Amino-benzofuran-2-yl)-7-methoxy-chromen-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of novel angularly fused polycyclic coumarins

  摘要：

  In a three-step sequence, an array of angularly fused polycyclic heterocycles with coumarin, benzofuran and pyridine rings were synthesized from 4-bromomethylcoumarins and salicylonitrile. All the final compounds were fully characterized and screened for anti-microbial, anti-inflammatory and analgesic activities. Several compounds exhibited promising inflammation inhibiting and anti-microbial properties. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.063
• 作为产物：
  描述：

  邻羟基苯甲腈 、 4-溴甲基-7-甲氧基香豆素 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 2-[(7-Methoxy-2-oxochromen-4-yl)methoxy]benzonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of novel angularly fused polycyclic coumarins

  摘要：

  In a three-step sequence, an array of angularly fused polycyclic heterocycles with coumarin, benzofuran and pyridine rings were synthesized from 4-bromomethylcoumarins and salicylonitrile. All the final compounds were fully characterized and screened for anti-microbial, anti-inflammatory and analgesic activities. Several compounds exhibited promising inflammation inhibiting and anti-microbial properties. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.063