(8-Acetamido-4-methyl-2-oxochromen-7-yl) acetate

• 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-Acetamido-4-methyl-2-oxochromen-7-yl) acetate
• 化学式: C₁₄H₁₃NO₅
• mdl: MFCD02938500
• 分子量: 275.261
• InChiKey: BXPKODYFDBLUNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-羟基-4-甲基-8-硝基香豆素 在 吡啶 、 连二亚硫酸盐 作用下， 以 水 为溶剂， 生成 (8-Acetamido-4-methyl-2-oxochromen-7-yl) acetate
  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