γ-<5-tert.-Butyl-2-methyl-phenyl>-buttersaeure | 23203-31-8

• 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: γ-<5-tert.-Butyl-2-methyl-phenyl>-buttersaeure
• 英文别名: 4-(5-tert-butyl-2-methyl-phenyl)-butyric acid；4-(5-tert-Butyl-2-methyl-phenyl)-buttersaeure；4-(5-(tert-Butyl)-2-methylphenyl)butanoic acid；4-(5-tert-butyl-2-methylphenyl)butanoic acid
• CAS: 23203-31-8
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: UGVKNULSSUEXPS-UHFFFAOYSA-N

物化性质

• 沸点：
  347.2±11.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  γ-<5-tert.-Butyl-2-methyl-phenyl>-buttersaeure 在 铁粉 作用下， 生成 {2-[2-(2-Amino-ethylamino)-ethylamino]-ethyl}-{4-(5-tert-butyl-2-methyl-phenyl)-1-[3-(5-tert-butyl-2-methyl-phenyl)-propyl]-butyl}-amine
  参考文献：
  名称：

  Antibacterial N-[.omega.,.omega.'-bis(alicyclic and aryl)-sec-alkyl]poly(methylenetriamine and -tetramine) hydrochloride salts

  摘要：

  A series of antibacterial N-(omega, omega'-(cycloalkyl, bicyclo[2.2.1]heptyl, and alkyl-substituted phenyl)-sec-alkyl]poly(methylene)triamine and -tetramine hydrochloride salts were synthesized in an effort to develop efficient, nonsystemic inhibitors, particularly for Pseudomonas aeruginosa. In the 1,5,9-triazanonane group, 3 of 16 compounds were effective at 8--10 micrograms/mL against pseudomonads. Efficiency appeared more dependent upon lipophilicity of the nitrogen substituent than other characteristics represented by the three types of rings. A parabolic relationship was observed for the entire set between the hydrophobic parameter, pi, of the lipoidal moiety and minimal inhibitory concentration. One of 16 tetramines, 1-[1,5-bis(3,3-dimethyl-2-norbornyl)-3-pentyl]-1,5,9,13-tetraazatridecane tetrahydrochloride (26f), ranked similarly. An additional two compounds in each series were superior to several commercial cationic detergents in the control of the Gram-negative bacteria. None was inhibitory at up to 200 micrograms/mL for Proteus vulgaris.

  DOI：

  10.1021/jm00197a024
• 作为产物：
  描述：

  4-叔丁基甲苯 在 盐酸 、 sodium ethanolate 、 potassium carbonate 、 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 γ-<5-tert.-Butyl-2-methyl-phenyl>-buttersaeure
  参考文献：
  名称：

  Cagniant,P. et al., Bulletin de la Societe Chimique de France, 1969, p. 985 - 991

  摘要：

  DOI：

文献信息

• Buu-Hoi; Cagniant, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1942, vol. 214, p. 115
  作者：Buu-Hoi、Cagniant

  DOI：——

  日期：——
• Cagniant,P. et al., Bulletin de la Societe Chimique de France, 1969, p. 985 - 991
  作者：Cagniant,P. et al.

  DOI：——

  日期：——
• Antibacterial N-[.omega.,.omega.'-bis(alicyclic and aryl)-sec-alkyl]poly(methylenetriamine and -tetramine) hydrochloride salts
  作者：N. Grier、R. A. Dybas、R. A. Strelitz、B. E. Witzel、E. L. Dulaney

  DOI：10.1021/jm00197a024

  日期：1979.11

  A series of antibacterial N-(omega, omega'-(cycloalkyl, bicyclo[2.2.1]heptyl, and alkyl-substituted phenyl)-sec-alkyl]poly(methylene)triamine and -tetramine hydrochloride salts were synthesized in an effort to develop efficient, nonsystemic inhibitors, particularly for Pseudomonas aeruginosa. In the 1,5,9-triazanonane group, 3 of 16 compounds were effective at 8--10 micrograms/mL against pseudomonads. Efficiency appeared more dependent upon lipophilicity of the nitrogen substituent than other characteristics represented by the three types of rings. A parabolic relationship was observed for the entire set between the hydrophobic parameter, pi, of the lipoidal moiety and minimal inhibitory concentration. One of 16 tetramines, 1-[1,5-bis(3,3-dimethyl-2-norbornyl)-3-pentyl]-1,5,9,13-tetraazatridecane tetrahydrochloride (26f), ranked similarly. An additional two compounds in each series were superior to several commercial cationic detergents in the control of the Gram-negative bacteria. None was inhibitory at up to 200 micrograms/mL for Proteus vulgaris.