1,7-di-(2-methyl-5-t-butylphenyl)-4-heptanone | 63505-86-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,7-di-(2-methyl-5-t-butylphenyl)-4-heptanone
• 英文别名: 1,7-Bis(5-tert-butyl-2-methylphenyl)heptan-4-one
• CAS: 63505-86-2
• 化学式: C₂₉H₄₂O
• 分子量: 406.652
• InChiKey: CONJOKWUCFGRHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,7-di-(2-methyl-5-t-butylphenyl)-4-heptanone 、 三乙烯四胺 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：

  γ-<5-tert.-Butyl-2-methyl-phenyl>-buttersaeure 在 铁粉 作用下， 生成 1,7-di-(2-methyl-5-t-butylphenyl)-4-heptanone
  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

文献信息

• US4058624A
  申请人：——

  公开号：US4058624A

  公开（公告）日：1977-11-15
• US4061775A
  申请人：——

  公开号：US4061775A

  公开（公告）日：1977-12-06
• US4070400A
  申请人：——

  公开号：US4070400A

  公开（公告）日：1978-01-24
• US4079059A
  申请人：——

  公开号：US4079059A

  公开（公告）日：1978-03-14
• US4172094A
  申请人：——

  公开号：US4172094A

  公开（公告）日：1979-10-23