6-acetoxy-4-methyl-5,7-dinitro-coumarin | 99971-08-1

• 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: 6-acetoxy-4-methyl-5,7-dinitro-coumarin
• 英文别名: 6-Acetoxy-4-methyl-5,7-dinitro-cumarin；(4-Methyl-5,7-dinitro-2-oxochromen-6-yl) acetate
• CAS: 99971-08-1
• 化学式: C₁₂H₈N₂O₈
• 分子量: 308.204
• InChiKey: BIXVCXGWVAGTGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  144
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对苯二酚 在 吡啶 、 硫酸 、 硝酸 作用下， 反应 1.0h， 生成 6-acetoxy-4-methyl-5,7-dinitro-coumarin
  参考文献：
  名称：

  Synthesis of novel amino and acetyl amino-4-methylcoumarins and evaluation of their antioxidant activity

  摘要：

  The six novel 4-methylcoumarins bearing different functionalities such as amino, hydroxy, N-acetyl, acetoxy and nitro have been synthesized and confirmed on the basis of their spectral data ((1)H-, (13)C-NMR, UV, IR and El mass). They were examined for the first time for their effect on NADPH dependent liver microsomal lipid peroxidation in vitro, and the results were compared with other model 4-methylcoumarin derivatives to establish the structure-activity relationship. Our studies demonstrated that amino group is an effective substitute for the hydroxyl group for antioxidant property and produced a dramatic inhibition of lipid peroxidation. Ortho dihydroxy and ortho hydroxy-amino coumarins were found to possess highest antioxidant and radical scavenging activities. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.09.002

文献信息

• Mewada; Shah, Chemische Berichte, 1956, vol. 89, p. 2209
  作者：Mewada、Shah

  DOI：——

  日期：——