1,11-Diamino-3,9-dithia-6-azaundecan | 34278-17-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,11-Diamino-3,9-dithia-6-azaundecan
• 英文别名: 1,7,13-triaza-4,10-dithiatridecane；2-[2-[2-(2-Aminoethylsulfanyl)ethylamino]ethylsulfanyl]ethanamine
• CAS: 34278-17-6
• 化学式: C₈H₂₁N₃S₂
• 分子量: 223.407
• InChiKey: RPXQYGHONIPNRO-UHFFFAOYSA-N

物化性质

• 沸点：
  384.8±42.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,11-Diamino-3,9-dithia-6-azaundecan 以 甲醇 为溶剂， 以40%的产率得到copper(II)(1,6,11-triaza-3,9-dithiaundecane) diperchlorate
  参考文献：
  名称：

  Synthesis, spectroscopic and redox behaviour of copper(II) complexes with quinquedentate thiaaza ligands

  摘要：

  Three potentially quinquedentate ligands, 1,11-diamino-6-oxa-3,9-dithiaundecane (LO), 1,6,11-triaza-3,9-dithiaundecane (LN), 1,11-diamino-3,6,9-trithiaundecane (LS) and their quadridentate analogue 1,11-diamine-3,9-dithiaundecane (LC) were prepared. Their copper(II) complexes of composition CuL(ClO4)2 have been isolated for the quinquedentate ligands, whereas for LC the dimeric complex Cu2(LC)3(ClO4)2 was the main product. ESR spectroscopy showed that the copper(II) complex with LO has rhombic symmetry, whereas the complexes with LN and LS are tetragonal, and the dimeric LC complex exhibits a weak Cu(II)-Cu(II) interaction. The cyclic voltammograms of the complexes with the quinquedentate ligands show a negative potential shift in comparison with the complex with the tetradentate ligand LC. Under CO, the E1/2 value for Cu(LS)(ClO4)2 shifts anodically by 50 mV due to formation of [Cu(LS)(CO)]+.

  DOI：

  10.1016/s0020-1693(00)82900-x
• 作为产物：
  描述：

  半胱胺盐酸盐 、 双(2-溴乙基)胺氢溴酸盐 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1,11-Diamino-3,9-dithia-6-azaundecan
  参考文献：
  名称：

  Black,D.S.C.; McLean,I.A., Australian Journal of Chemistry, 1971, vol. 24, p. 1391 - 1399

  摘要：

  DOI：