4-acetoxy-3-<1-(4-nitrophenyl)-3-oxobutyl>-2H-1-benzopyran-2-one | 63986-29-8

• 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: 4-acetoxy-3-<1-(4-nitrophenyl)-3-oxobutyl>-2H-1-benzopyran-2-one
• 英文别名: 4-Acetoxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one；[3-[1-(4-nitrophenyl)-3-oxobutyl]-2-oxochromen-4-yl] acetate
• CAS: 63986-29-8
• 化学式: C₂₁H₁₇NO₇
• 分子量: 395.368
• InChiKey: DWIPOVRLZXACPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  醋硝香豆素 、 乙酸酐 反应 1.0h， 以49.4%的产率得到4-acetoxy-3-<1-(4-nitrophenyl)-3-oxobutyl>-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Synthesis, toxicological and pharmacological assessment of some 4-hydroxycoumarin derivatives

  摘要：

  The synthesis of seven coumarin derivatives from 4-hydroxycoumarin and different unsaturated ketones is described. The structures of the synthesized compounds were proved by IR, H-1-NMR and mass-spectral data. Acute toxicity studies of the compounds were performed on mice by oral and intraperitoneal administration. A comparative pharmacological study of the in vivo anticoagulant effects of the derivatives with respect to Warfarin showed that the new compounds have different anticoagulant activities. 4-Acetoxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one 2 showed slight acute toxicity and a higher anticoagulant effect than Warfarin.

  DOI：

  10.1016/0223-5234(96)88266-3

文献信息

• Synthesis, toxicological and pharmacological assessment of some 4-hydroxycoumarin derivatives
  作者：I Manolov、ND Danchev

  DOI：10.1016/0223-5234(96)88266-3

  日期：1995.1

  The synthesis of seven coumarin derivatives from 4-hydroxycoumarin and different unsaturated ketones is described. The structures of the synthesized compounds were proved by IR, H-1-NMR and mass-spectral data. Acute toxicity studies of the compounds were performed on mice by oral and intraperitoneal administration. A comparative pharmacological study of the in vivo anticoagulant effects of the derivatives with respect to Warfarin showed that the new compounds have different anticoagulant activities. 4-Acetoxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one 2 showed slight acute toxicity and a higher anticoagulant effect than Warfarin.