2-Hydroxy-5-octanoyl-benzoic acid methyl ester | 78417-96-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Hydroxy-5-octanoyl-benzoic acid methyl ester
• 英文别名: Methyl 2-hydroxy-5-octanoylbenzoate
• CAS: 78417-96-6
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: DEIMDCAWIJVVEX-UHFFFAOYSA-N

物化性质

• 沸点：
  418.4±30.0 °C(Predicted)
• 密度：
  1.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-5-octanoyl-benzoic acid methyl ester 在 sodium hydroxide 、 三氯化磷 作用下， 以 乙醇 、 氯苯 为溶剂， 反应 9.25h， 生成 N-Benzothiazol-2-yl-2-hydroxy-5-octanoyl-benzamide
  参考文献：
  名称：

  Potential salicylamide antiplaque agents: in vitro antibacterial activity against Actinomyces viscosus

  摘要：

  A series of 55 salicylamides, including 3,5-dibromo-, 5-n-alkyl-, and 5-n-acylsalicyloyl derivatives of various anilines, heterocyclic amines, benzylamines, and alkylamines, was synthesized and evaluated for in vitro antibacterial activity against Actinomyces viscosus, an adherent oral microorganism implicated in periodontal disease. The in vitro minimum inhibitory concentrations of 15 4'-bromosalicylanilides were found to correlate (r = 0.92) with estimated log D values. Several nonhalogenated salicylanilides, such as 5-n-hexyl- (40) and 5-n-decanoyl-4'-nitrosalicylanilide (47), were found to exhibit higher levels of in vitro antibacterial activity against a number of Actinomycetes than did tribromsalan (1) or fluorophene (2).

  DOI：

  10.1021/jm00142a023
• 作为产物：
  描述：

  辛酰氯 、 水杨酸甲酯 在 三氯化铝 作用下， 以 二硫化碳 为溶剂， 反应 12.0h， 以85%的产率得到2-Hydroxy-5-octanoyl-benzoic acid methyl ester
  参考文献：
  名称：

  Potential salicylamide antiplaque agents: in vitro antibacterial activity against Actinomyces viscosus

  摘要：

  A series of 55 salicylamides, including 3,5-dibromo-, 5-n-alkyl-, and 5-n-acylsalicyloyl derivatives of various anilines, heterocyclic amines, benzylamines, and alkylamines, was synthesized and evaluated for in vitro antibacterial activity against Actinomyces viscosus, an adherent oral microorganism implicated in periodontal disease. The in vitro minimum inhibitory concentrations of 15 4'-bromosalicylanilides were found to correlate (r = 0.92) with estimated log D values. Several nonhalogenated salicylanilides, such as 5-n-hexyl- (40) and 5-n-decanoyl-4'-nitrosalicylanilide (47), were found to exhibit higher levels of in vitro antibacterial activity against a number of Actinomycetes than did tribromsalan (1) or fluorophene (2).

  DOI：

  10.1021/jm00142a023

文献信息

• ——
  作者：JACQUET B.、 LEVEQUE J. -L.、 HOCQUAUX M.、 SAINT LEGER D.

  DOI：——

  日期：——