1,4,7-tri-tert-butyl-1,4,7-triazaheptane | 24426-18-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,4,7-tri-tert-butyl-1,4,7-triazaheptane
• 英文别名: 1,4,7-Tri-tert.-butyl-diethylentriamin；N,N'-ditert-butyl-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
• CAS: 24426-18-4
• 化学式: C₁₆H₃₇N₃
• 分子量: 271.49
• InChiKey: ITHBYYGJPBSREW-UHFFFAOYSA-N

物化性质

• 沸点：
  94-95 °C(Press: 0.1 Torr)
• 密度：
  0.854±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  叔丁基乙醇胺 在 氯化亚砜 作用下， 生成 1,4,7-tri-tert-butyl-1,4,7-triazaheptane
  参考文献：
  名称：

  Gelbard,G.; Rumpf,P., Bulletin de la Societe Chimique de France, 1969, p. 1161 - 1170

  摘要：

  DOI：

文献信息

• Reaction of 1,2-dibromoethane with primary amines: formation of N , N ′-disubstituted ethylenediamines RNH–CH 2 CH 2 –NHR and homologous polyamines RNH–[CH 2 CH 2 NR] n –H
  作者：Michael K Denk、Mike J Krause、Debyani F Niyogi、Nachhattarpal K Gill

  DOI：10.1016/s0040-4020(03)01149-9

  日期：2003.9

  The reaction of primary amines RNH2 (R: Me, Et, iPr, tBu and Ph) with 1,2-dibromoethane gave N,N'-disubstituted ethylenediamines R-NH-CH2CH2-NH-R (1) in yields ranging from 10% (1a; R=Me) to 70% (1d, R=tBu; 1e, R=Ph). Piperazines and N-substituted polyethyleneimines were identified (H-1 NMR, C-13 NMR and EI-MS) as side products of the reaction and isolated by fractional distillation. The piperazines 2 are formed in yields of 3-10% and can be separated from the diamines 1 in all cases, except for R=Me and Ph. The polyamine homologues RNH-[CH2CH2NR](n)-H (3-5) were isolated in yields ranging from 0.1% (n=4, R=iPr) to 14% (n=2, R=iPr). The yields of 1 increase with the size of the substituent R, no obvious trend exists for the yields of the side products. (C) 2003 Elsevier Ltd. All rights reserved.