| 186019-88-5

• CAS: 186019-88-5
• 化学式: C₃₈H₅₈Fe₂N₆O₇*H₂O
• 分子量: 840.624
• InChiKey: VGVAEXZFVPYJRQ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-(3-tert-butyl-2-hydroxybenzyl)-1,4,7-triazacyclononane-1-acetic acid, dilithium salt 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  First-row transition-metal complexes of mixed ‘pendant-arm’ derivatives of 1,4,7-triazacyclononane containing phenolate and carboxylate functional groups

  摘要：

  Three mixed pendant-arm azamacrocylic ligands of the 1,4,7-triazacyclononane backbone containing one N-bound phenolate and one or two N-bound carboxylate functionalities have been synthesized, namely 4-(3-tert-butyl-2-hydroxybenzyl)-1,4,7-triazacyclononane-1-acetate(2-), [L(1)](2-), 7-(3-tert-butyl-2-hydroxybenzyl)-1,4,7-triazacyclononane-1,4-diacetate(3-), [L(2)](3-), and 7-(2-hydroxybenzyl)-1,4,7-triazacyclononane-1,4-diacetate(3-), [L(3)](3-). Their co-ordination chemistry with Fe-III, V-III, V-IV, Mn-III and Co-III has been investigated and the following complexes have been prepared as crystalline solids: [Fe-III(L(1))Cl] 1, [Fe(III)L(1)(H2PO4)] 2, [Fe(2)(III)L(2)(1)(mu-O)]. H2O 3, [V(III)L(2)]. 1.5H(2)O 4, [(VO)-O-IV(H(2)L)] 5, [Mn(III)L(2)]. 2H(2)O 6, [Fe(III)L(2)]. 1.5H(2)O 7, [Co(III)L(2)] 8, [Fe(III)L(3)]. 2H(2)O 9 and [Co(III)L(3)]. 3H(2)O 10. Electronic spectra, magnetic properties and the electrochemistry of the new complexes are reported The crystal structures 3, 4, 7 and 10 have been determined by X-ray crystallography.

  DOI：

  10.1039/dt9960004409