3-(3,3-二甲基双环[2.2.1]庚-2-基)丙酸 | 35896-35-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 3-(3,3-二甲基双环[2.2.1]庚-2-基)丙酸
• 英文名称: 3-(3,3-dimethylnorborn-2-yl)-propionic Acid
• 英文别名: 3-(3,3-dimethylnorborn-2-yl)propionic acid；exo-3,3-Dimethylbicyclo(2.2.1)heptane-2-propionic acid；3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoic acid
• CAS: 35896-35-6
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: PECZKENMPPVTAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 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：

  3-(3,3-二甲基双环[2.2.1]庚-2-基)丙酸 在 铁粉 作用下， 生成 1-[1,5-di-(3,3-dimethylnorborn-2-yl)-3-pentyl]-1,5,9-triazanonane
  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：

  莰烯 在 sodium hydroxide 、 二叔丁基过氧化物 、 乙酸酐 作用下， 生成 3-(3,3-二甲基双环[2.2.1]庚-2-基)丙酸
  参考文献：
  名称：

  Composition for secondary and tertiary oil recovery

  摘要：

  一种用于二次和三次油田采油的抗菌组合物，包括由置换和驱动流体组成的注水组合物，其中含有二萜[3.1.1]或[2.2.1]庚基或二萜[3.1.1]和[2.2.1]庚烯基多胺或其盐的抗菌有效量。

  公开号：

  US04049559A1

文献信息

• Process for preparation of
  申请人：Merck & Co., Inc.

  公开号：US04139559A1

  公开（公告）日：1979-02-13

  A process for preparing 1-[1,5-di-(3,3-dimethylnorborn-2-yl)-3-pentyl]-1,5,9-triazanonane from 1,5-di-(3,3-dimethylnorborn-2-yl)-3-pentanone by reaction with ammonia to form, after reduction, 3-amino-[1,5-di-(3,3-dimethylnorborn-2-yl)pentane]. This latter compound is reacted with acrylonitrile, reduced, and the diamine product again reacted with acrylonitrile and again reduced. Alternative routes wherein the ketone is reduced to the novel alcohol and optionally the novel halide and either then reacted with 3,3'-iminobispropylamine to form the desired polyamine are also shown.

  从1,5-二-(3,3-二甲基-壬-2-基)-3-戊酮与氨反应制备1-[1,5-二-(3,3-二甲基-壬-2-基)-3-戊基]-1,5,9-三氮杂壬烷的方法，经还原后形成3-氨基-[1,5-二-(3,3-二甲基-壬-2-基)戊烷]。这种后一化合物与丙烯腈反应，经还原，再次与丙烯腈反应，再次还原形成二胺产物。还显示了另一种途径，其中酮被还原为新型醇，可选择性地与新型卤化物反应，然后再与3,3'-亚基双丙胺反应形成所需的聚胺。
• Balsamic fragrance composition and process for preparation
  申请人：HENKEL CORPORATION

  公开号：EP0244822A2

  公开（公告）日：1987-11-11

  Balsamic fragrance compositions having fruity, fir needle notes with the character of fir balsam absolute are produced by reacting camphene, and ethylhaloacetate and di-t-butyl peroxide; reacting the mixture obtained therefrom with zinc and water; vacuum distilling the resulting product; and collecting a specified fraction.

  将莰烯和卤乙酸乙酯与二叔丁基过氧化物反应，再将得到的混合物与锌和水反应，真空蒸馏得到的产物，然后收集特定的馏分，就可以生产出具有果香和枞树针叶香味，并具有枞树香脂特性的香脂香料组合物。
• US4003934A
  申请人：——

  公开号：US4003934A

  公开（公告）日：1977-01-18
• US4058625A
  申请人：——

  公开号：US4058625A

  公开（公告）日：1977-11-15
• US4033748A
  申请人：——

  公开号：US4033748A

  公开（公告）日：1977-07-05