1,4,7-tribenzyl-1,4,7,triazaheptane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4,7-tribenzyl-1,4,7,triazaheptane
• 英文别名: N,N'-dibenzyl-N'-[2-(benzylamino)ethyl]ethane-1,2-diamine
• 化学式: C₂₅H₃₁N₃
• 分子量: 373.541
• InChiKey: WJCLIELRXFWRPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二乙烯基砜 、 1,4,7-tribenzyl-1,4,7,triazaheptane 以 水 、 异丙醇 为溶剂， 以90%的产率得到4,7,10-tribenzyl-1-thia-4,7,10-triazacyclododecane 1,1-dioxide
  参考文献：
  名称：

  Bis-Heteronucleophilic Michael Addition to Divinyl Sulfone: A New Efficient Access to Macrocycles

  摘要：

  The Michael addition of bis(nitrogen or sulfur) nucleophiles to divinyl sulfone provides the corresponding macrocyclic adducts in good yields. The structures of some new macrocyclic sulfones are established by X-ray crystallographic analysis and NMR spectroscopy. The subsequent cleavage of benzyl or tosyl groups yields the unprotected macrocyclic sulfones.

  DOI：

  10.1002/1099-0690(200301)2003:1<54::aid-ejoc54>3.0.co;2-r
• 作为产物：
  描述：

  1,4,7-tribenzoyl-1,4,7,triazaheptane 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以79%的产率得到1,4,7-tribenzyl-1,4,7,triazaheptane
  参考文献：
  名称：

  Bis-Heteronucleophilic Michael Addition to Divinyl Sulfone: A New Efficient Access to Macrocycles

  摘要：

  The Michael addition of bis(nitrogen or sulfur) nucleophiles to divinyl sulfone provides the corresponding macrocyclic adducts in good yields. The structures of some new macrocyclic sulfones are established by X-ray crystallographic analysis and NMR spectroscopy. The subsequent cleavage of benzyl or tosyl groups yields the unprotected macrocyclic sulfones.

  DOI：

  10.1002/1099-0690(200301)2003:1<54::aid-ejoc54>3.0.co;2-r

文献信息

• Stannylenes based on alkyl- and aryl-substituted diethylenetriamines: synthesis, structure, and catalytic activity
  作者：M. U. Agaeva、B. N. Mankaev、K. A. Lyssenko、M. P. Egorov、S. S. Karlov

  DOI：10.1007/s11172-024-4237-3

  日期：2024.5

  X-ray diffraction data (for stannylenes 1h—m are monomeric; the coordination number of the tin atom is 3. Stannylenes 1h—m were tested as initiators for the ε-caprolactone polymerization. The highest activity was shown by derivatives 1l,m containing phenyl groups at the terminal nitrogen atoms of the ligand. Stannylenes 1h—k containing ethyl and benzyl substituents are less active in the ring-opening polymerization

  1,4,7-三取代1,4,7-三氮杂庚烷衍生物RN(CH 2 CH 2 NHR') 2 与1当量的反应拉珀特的亚锡基 Sn[N(SiMe 3 ) 2 ] 2 得到相应的亚锡基 RN(CH 2 CH 2 Sn (R′ = Bn, R = Et (1h), Bn (1i); R′ = Et, R = Et (1j), Bn (1k); R′ = Ph, R = Et (1l), Bu t (1m)) 收率令人满意。根据 1 H、 13 C（1h—m）和 119 Sn（1i,k—m）NMR数据和X-射线衍射数据（亚锡基 1h—m 是单体；锡原子的配位数为 3。亚锡基 1h—m 被测试作为 ε-己内酯聚合的引发剂。含有苯基的衍生物 1l,m 显示出最高的活性在配体的末端氮原子上，含有乙基和苄基取代基的亚锡基1h-k在ε-己内酯的开环聚合中活性较低。