dichloroiron(1+);2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetate | 299402-43-0

• 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: dichloroiron(1+);2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetate
• CAS: 299402-43-0
• 化学式: C₁₂H₂₅ClFeN₄O₂*Cl
• 分子量: 384.109
• InChiKey: XEODUMWJMLLBFB-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [FeCl(1,4,8,11-tetraazacyclotetradecane-1-acetic acid monoanion)](PF6) 、 四丁基氯化铵 以 丙酮 为溶剂， 以90%的产率得到dichloroiron(1+);2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetate
  参考文献：
  名称：

  Reactivity of a novel Fe(III) carboxymethylenecyclam complex towards dioxygen and superoxide

  摘要：

  The synthesis and physico-chemical characterization of a novel Fe(III) low-spin (V/Delta = 0.648), macroyclic complex, [Fe(III)L-(Cl-)]Cl having the pentadentate ligand N-carboxymethylene-1,4,8,11-tetraazacyclotetradecane, AcOH[14]aneN(4), is reported. It has been shown that the complex undergoes a reversible one-electron reduction (E(1/2)= -0.19 +/- 0.01 V versus NHE in DMSO/Bu(4)NBF(4) solution) forming the Fe(II) complex which reacts rapidly with dioxygen, if present. Under aerobic conditions, the electrochemical response of [Fe(III)L(Cl-)](+) indicates the production of an Fe(III) mu-peroxo dimer. On the basis of stopped-flow kinetics analysis in aqueous solution, it has been demonstrated that the Fe(III) complex accelerates dismutation of the superoxide radical, k = 3.0 +/- 1.0 x 10(7) M(-1) s(-1); 21.0 degrees C; pH = 8.1. Moreover, ESR studies on potassium superoxide in DMSO show that the radical is rapidly removed by [Fe(III)L(Cl-)](+). In the course of this reaction, a new ferric low-spin form of the Fe(III) complex with lower g anisotropy (V/Delta = 0.332; g(x) = 2331, g(y) = 2.192, g(z) = 1.989) has been found.

  DOI：

  10.1016/0020-1693(95)04463-j