2-Amino-1-(1,4,7-triazonan-1-yl)ethanone | 599212-11-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Amino-1-(1,4,7-triazonan-1-yl)ethanone
• CAS: 599212-11-0
• 化学式: C₈H₁₈N₄O
• 分子量: 186.257
• InChiKey: TUSPCTQVYULPJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  70.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2-Amino-1-(1,4,7-triazonan-1-yl)ethanone 以 甲醇 为溶剂， 以40%的产率得到[(CuL(Gly))2](ClO4)4*2H2O
  参考文献：
  名称：

  TACN−Amino Acid Conjugates and Their Copper(II) Complexes

  摘要：

  Triazacyclononane (TACN) was coupled to glycine (L-Gly), alanine (L-Ala), and phenylalanine (L-Phe) via standard solution phase peptide coupling techniques. Copper(II) complexes of these new ligand-amino acid conjugates' [(CuLGly)(2)](ClO4)(4) (1), [(CuLAla)(2)Cl](ClO4)(3) (2), and [(Cu2LCl4)-Cl-Phe] (3), were synthesized and characterized. The X-ray crystal structures of 2 and 3 were determined. Complex 2 is a dimeric species where, L-Ala bridges between copper ions via its two TACN amine nitrogen atoms to one copper while the Ala terminal amine and carbonyl oxygen bind to the other copper. Complex 3 is bimetallic but only contains one L-Phe ligand that bridges between the copper ions.

  DOI：

  10.1021/ic034598y