N,N-di-(2-{(1S,3S,6R)-4[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl}-ethylamino)amine | 443873-80-1

• 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,3S,6R)-4[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl}-ethylamino)amine
• 英文别名: N,N-di(2-((1S,3S,6R)-4-[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl)ethylamino)amine；(NE)-N-[(1R,4S,6S)-4-[2-[2-[[(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]amino]ethylamino]ethylamino]-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
• CAS: 443873-80-1
• 化学式: C₂₄H₄₃N₅O₂
• 分子量: 433.638
• InChiKey: PRWSKLUQTWMUGN-YKYKVAFXSA-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：
  4.0
• 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

• 作为反应物：
  描述：

  nickel(II) chloride hexahydrate 、 N,N-di-(2-{(1S,3S,6R)-4[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl}-ethylamino)amine 以 乙醇 为溶剂， 以56%的产率得到chloro[N,N-di(2-((1S,3S,6R)-4-[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl)ethylamino)amine]nickel(II) chloride
  参考文献：
  名称：

  Synthesis and structure of the [Ni(H2L)Cl]Cl complex with the chiral pentadentate nitrogen-containing ligand H2L derived from the natural terpenoid (+)-3-carene

  摘要：

  NiCl2与天然萜烯（+）-3-蒈烯衍生的手性五齿含氮配体H2L反应，生成顺磁性[Ni(H2L)Cl]Cl络合物。该络合物的晶体结构通过X射线衍射确定。

  DOI：

  10.1007/s11172-007-0275-x
• 作为产物：
  描述：

  (+)-3-蒈烯 在 sodium carbonate 、 亚硝酰氯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 N,N-di-(2-{(1S,3S,6R)-4[(E)-hydroxyimino]-3,7,7-trimethylbicyclo[4.1.0]hept-3-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.
• Synthesis and structure of the [Ni(H2L)Cl]Cl complex with the chiral pentadentate nitrogen-containing ligand H2L derived from the natural terpenoid (+)-3-carene
  作者：S. V. Larionov、L. I. Myachina、L. A. Glinskaya、R. F. Klevtsova、S. N. Bizyaev、A. V. Tkachev

  DOI：10.1007/s11172-007-0275-x

  日期：2007.9

  The reaction of NiCl2 with the chiral pentadentate nitrogen-containing ligand H2L derived from the natural terpenoid (+)-3-carene produced the paramagnetic [Ni(H2L)Cl]Cl complex. The crystal structure of this complex was established by X-ray diffraction.

  NiCl2与天然萜烯（+）-3-蒈烯衍生的手性五齿含氮配体H2L反应，生成顺磁性[Ni(H2L)Cl]Cl络合物。该络合物的晶体结构通过X射线衍射确定。