1,1,1-Tris(ethylaminomethyl)ethane | 147011-87-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1,1-Tris(ethylaminomethyl)ethane
• 英文别名: N,N'-diethyl-2-(ethylaminomethyl)-2-methylpropane-1,3-diamine
• CAS: 147011-87-8
• 化学式: C₁₁H₂₇N₃
• 分子量: 201.355
• InChiKey: NJHJDJMVXPICNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.82
• 重原子数：
  14.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.09
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,1,1-Tris(ethylaminomethyl)ethane 在 正丁基锂 作用下， 以 正己烷 、 正戊烷 为溶剂， 反应 0.5h， 以63%的产率得到
  参考文献：
  名称：

  Metallation of multifunctional secondary amines: the structural characterisation of the tripodal lithium amides {H3CC[CH2N(Li)R]3}3

  摘要：

  A series of trifunctional amines of the type H3CC(CH2NHR)3 [R = CH32, C2H5 3, CH(CH3),4, SiH(CH3),5 or Si(CH3)3 6] has been prepared and lithiated with n-butyllithium in hydrocarbon solvents, The tripodal lithium amides were found to be dimeric both in solution and in the solid state. Single-crystal X-ray structure analyses of {H3CC[CH2N(Li)CH(CH3)2]3}2 9 and {H3CC[CH2N(Li)Si(CH3)2]3}2 11 have established the central Li6N6 core in the molecular species. The geometrical requirements of the Li-N array cause a considerable distortion of the hydrocarbon skeleton which links the nitrogen centres.

  DOI：

  10.1039/dt9930000489
• 作为产物：
  描述：

  2-(氨甲基)-2-甲基-1,3-丙二胺 在 sodium tetrahydroborate 、 trimethoxonium tetrafluoroborate 作用下， 反应 66.0h， 生成 1,1,1-Tris(ethylaminomethyl)ethane
  参考文献：
  名称：

  Metallation of multifunctional secondary amines: the structural characterisation of the tripodal lithium amides {H3CC[CH2N(Li)R]3}3

  摘要：

  A series of trifunctional amines of the type H3CC(CH2NHR)3 [R = CH32, C2H5 3, CH(CH3),4, SiH(CH3),5 or Si(CH3)3 6] has been prepared and lithiated with n-butyllithium in hydrocarbon solvents, The tripodal lithium amides were found to be dimeric both in solution and in the solid state. Single-crystal X-ray structure analyses of {H3CC[CH2N(Li)CH(CH3)2]3}2 9 and {H3CC[CH2N(Li)Si(CH3)2]3}2 11 have established the central Li6N6 core in the molecular species. The geometrical requirements of the Li-N array cause a considerable distortion of the hydrocarbon skeleton which links the nitrogen centres.

  DOI：

  10.1039/dt9930000489

文献信息

• Gade Lutz H., Mahr Norbert, J. Chem. Soc. Dalton Trans, (1993) N 4, S 489-494
  作者：Gade Lutz H., Mahr Norbert

  DOI：——

  日期：——