2-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester | 6023-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester
• 英文别名: methyl 2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate；methyl 2-[(2-oxochromene-3-carbonyl)amino]benzoate
• CAS: 6023-18-3
• 化学式: C₁₈H₁₃NO₅
• mdl: MFCD00249927
• 分子量: 323.305
• InChiKey: PTUPABXHLWLSFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 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：

  香豆素-3-甲酰氯 在 吡啶 、 乙酸酐 作用下， 反应 5.0h， 生成 2-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester
  参考文献：
  名称：

  Selim, M. R.; Aly, F. M.; Bedair, A. H., Journal of the Indian Chemical Society, 1992, vol. 69, # 10, p. 688 - 690

  摘要：

  DOI：

文献信息

• Synthesis and anti-inflammatory activity of N-substituted 2-oxo-2H-1-benzopyran-3-carboxamides and their 2-iminoanalogues
  作者：Igor E Bylov、Maksym V Vasylyev、Yaroslav V Bilokin

  DOI：10.1016/s0223-5234(99)00119-1

  日期：1999.11

  A series of N-arylsubstituted 2-imino-2H-1-benzopyran-3-carboxamides 3a and b and 2-oxo-2H-1-benzopyran-3-carboxamides 4a-h were synthesized and evaluated for their anti-inflammatory activity in carrageenan-induced rat paw oedema assays and in acetic acid-induced peritonitis tests in albino rats. The resulting products were found to be active anti-inflammatory agents and their effects were comparable to that of piroxicam as the reference compound. In the consideration of the efficacy of the compounds in these assays, 2-imino/oxo-2H-1-benzopyran-3-carboxamides 3a and b and 4a-h were further studied at graded doses for their acute toxicity (ALD(50)) in albino mice and were essentially non-toxic at the highest dose tested. (C) 1999 Editions scientifiques et medicales Elsevier SAS.
• Selim, M. R.; Aly, F. M.; Bedair, A. H., Journal of the Indian Chemical Society, 1992, vol. 69, # 10, p. 688 - 690
  作者：Selim, M. R.、Aly, F. M.、Bedair, A. H.、Abu-Shanab, F. A.

  DOI：——

  日期：——