diaqua(nitrilotriacetate)iron(III) | 58802-76-9

• 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: diaqua(nitrilotriacetate)iron(III)
• 英文别名: Fe(nta)(H2O)2；Fe(nitrilotriacetate)(H2O)2
• CAS: 58802-76-9；67359-33-5
• 化学式: C₆H₁₀FeNO₈
• 分子量: 279.994
• InChiKey: IZUZNKRTWNLTMS-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  diaqua(nitrilotriacetate)iron(III) 、 乙酰氧肟酸 以 水 为溶剂， 生成
  参考文献：
  名称：

  铁（III）-三乙酸三铁与磷酸盐和乙酰氧肟酸络合的动力学和机理。

  摘要：

  铁（III）（Fe（NTA）（OH（2））（2）和Fe（NTA）（OH（2））（OH）（-））的次氮基三乙酸酯络合物中配位水取代的动力学和机理由磷酸盐（H（2）PO（4）（-）和HPO（4）（2）（-））和乙酰氧肟酸（CH（3）C（O）N（OH）H）进行了研究。发现磷酸盐反应是pH依赖性的，范围为4-8。磷酸盐取代率与磷酸盐质子化程度无关，pH依赖性是由于Fe（NTA）（OH（2））（2）（k = 3.6 x 10（5）M（-）（ 1）s（-）（1））和Fe（NTA）（OH（2））（OH）（-）（k = 2.4 x 10（4）M（-）（1）s（-）（1） ）。乙酰氧肟酸取代对pH值在4-5.2范围内不敏感，Fe（NTA）（OH（2））（2）和Fe（NTA）（OH（2））（OH）（-）反应当量速率（k = 4.2 x 10（4）和3.8 x 10（4）M（-）（1）s（-）（1））。对于磷酸

  DOI：

  10.1021/ic026281o
• 作为产物：
  描述：

  iron perchlorate hexahydrate 、 trisodium nitrilotriacetate 以 水 为溶剂， 生成 diaqua(nitrilotriacetate)iron(III)
  参考文献：
  名称：

  Functional models for catechol 1,2-dioxygenase. Structure, reactivity, and mechanism

  摘要：

  DOI：

  10.1021/ja00252a012

文献信息

• Banerjea, D., Pure and Applied Chemistry, 1988, vol. 60, p. 1337 - 1344
  作者：Banerjea, D.

  DOI：——

  日期：——
• Heterobimetallic gadolinium(III)–iron(III) complex of DTPA-bis(3-hydroxytyramide)
  作者：Tatjana N. Parac-Vogt、Kristof Kimpe、Koen Binnemans

  DOI：10.1016/j.jallcom.2003.11.102

  日期：2004.7

  A derivative of diethylenetriamine-N,N,N',N",N"-pentaacetic acid (DTPA), carrying two catechol functional groups has been synthesised by the reaction between DTPA-bis(anhydride) and 3-hydroxytyramine (dopamine). The ligand DTPA-bis(3-hydroxytyramide), [DTPA(HTA)(2)], is able to form stable heterobimetallic complexes with gadolinium(III) and iron(III) ions. The gadolinium(III) occupies the internal coordination cage of DTPA formed by three nitrogens, two carboxylate and two amide oxygens, while the [Fe(NTA)(H2O)(2)] (nitrilotri acetic acid, NTA) binds to catechol units by the substitution of two water ligands. The formation of polymeric species was avoided by using the tripodal NTA ligand. The heterobimetallic complex was characterised by means of visible absorption spectroscopy, electron spray ionisation-mass spectrometry (ESI-MS), and nuclear magnetic resonance (NMR) spectroscopy. (C) 2003 Elsevier B.V. All rights reserved.
• Kinetics and equ libria of the ternary complex formation of nitrilotriacetatoferrate(III) with 2,2′-bipyridyl in aqueous solutions
  作者：Sanjoy Kumar Bhattacharyya、Rupendranath Banerjee

  DOI：10.1016/s0277-5387(96)00326-9

  日期：1997.1

  In the pH range 2.7-3.7, [Fe(nta)(H2O)(2)] (1) reacted with Hbipy(+) and bipy to form the ternary complex, [Fe(nta)(bipy)] (2), which was also formed in the reaction between [Fe(nta)(H2O)(OH)](-) and Hbipy(+). The equilibrium constant determined spectrophotometrically agreed well with the kinetically determined value. Rate constants and corresponding activation parameters have been evaluated for different pathways leading to compound 2 and its dissociation. Bond dissociation appears to be important in the transition state. The greater thermodynamic stability of [Fe(nta) (benzohydroxamate)](-) (3) than 2 is a consequence of a-much greater rate of dissociation of compound 2 than of compound 3; formation rate constants for compounds 2 and 3 are similar. Copyright (C) 1996 Elsevier Science Ltd