N,N-di-(2-{(1S,2S,5S)-3[(E)-hydroxyimino]-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl}-ethylamino)amine

• 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
• 英文名称: N,N-di-(2-{(1S,2S,5S)-3[(E)-hydroxyimino]-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl}-ethylamino)amine
• 英文别名: (NE)-N-[(1S,2S,5S)-2-[2-[2-[[(1S,2S,3E,5S)-3-hydroxyimino-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]amino]ethylamino]ethylamino]-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
• 化学式: C₂₄H₄₃N₅O₂
• 分子量: 433.638
• InChiKey: IZGGUTQYRTWVQC-CEAWJIRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  101
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  二乙烯三胺 、 Bis-((1S,2S,3R,5S)-2-chloro-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-diazene N,N'-dioxide 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 以24%的产率得到N,N-di-(2-{(1S,2S,5S)-3[(E)-hydroxyimino]-2,6,6-trimethylbicyclo[3.1.1]hept-2-yl}-ethylamino)amine
  参考文献：
  名称：

  摘要：

  The reaction of nitroso chlorides of natural monoterpene hydrocarbons, 3-carene and alpha-pinene, with simple alpha,omega-diamines (1,2-diaminoethane, 1,3-diaminopropane, piperazine, 1,6-diaminohexane, diethylenetriamine) results in the formation of alpha-amino oximes and bis-alpha-amino oximes. The product structures were proved by spectroscopy. The procedures of separation and purification of diamino oximes and diamino dioximes are described. Detailed analysis of the H-1 and C-13 NMR spectra of the new chiral nitrogen-containing derivatives was carried out.

  DOI：

  10.1023/a:1015097200993

文献信息

• ——
  作者：P. A. Petukhov、S. N. Bizyaev、À. V. Tkachev

  DOI：10.1023/a:1015097200993

  日期：——

  The reaction of nitroso chlorides of natural monoterpene hydrocarbons, 3-carene and alpha-pinene, with simple alpha,omega-diamines (1,2-diaminoethane, 1,3-diaminopropane, piperazine, 1,6-diaminohexane, diethylenetriamine) results in the formation of alpha-amino oximes and bis-alpha-amino oximes. The product structures were proved by spectroscopy. The procedures of separation and purification of diamino oximes and diamino dioximes are described. Detailed analysis of the H-1 and C-13 NMR spectra of the new chiral nitrogen-containing derivatives was carried out.