N-tert-butyliminodiacetate | 860401-33-8

• 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: N-tert-butyliminodiacetate
• 英文别名: (t)bu-ida；2-[Tert-butyl(carboxylatomethyl)amino]acetate
• CAS: 860401-33-8
• 化学式: C₈H₁₃NO₄
• 分子量: 187.196
• InChiKey: PUQOGDRZKJUEQH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  83.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-tert-butyliminodiacetate 、 [Mn(IV)4O6(N,N-bis(2-pyridylmethyl)ethylamine)4](ClO4)4 以 乙腈 为溶剂， 生成 [Mn4O6(N,N-bis(2-pyridylmethyl)ethylamine)2(N-tert-butyliminodiacetato)2]
  参考文献：
  名称：

  Tuning Tetranuclear Manganese−Oxo Core Electronic Properties:  Adamantane-Shaped Complexes Synthesized by Ligand Exchange

  摘要：

  A series of aclamantane-s h aped [Mn4O6](4+) aggregates has been prepared. Ligand substitution reactions of [Mn4O6-(bpea)(4)](ClO4)(4) (1) with tridentate amine and iminodicarboxylate ligands in acetonitrile affords derivative clusters [Mn4O6(tacn)(4)](ClO4)(4) (4), [Mn4O6(bpea)(2)(dien)(2)](ClO4)(4) (5), [Mn4O6(Medien)(4)](ClO4)(4) (6), [Mn4O6(tach)(4)](ClO4)(4) (7), [Mn4O6(bpea)(2)(me-ida)(2)] (8), [Mn4O6(bpea)(2)(bz-ida)(2)] (9), [Mn4O6(bpea)(2)((1)bu-ida)(2)] (10), and [Mn4O6(bpea)(2)((c)pent-ida)(2)] (111) generally on the order of 10 min with retention of core nuclearity and oxidation state. Of these complexes, only 4 had been synthesized previously. Characterization of two members of this series by X-ray crystallography reveals that compound 7 crystallizes as [Mn4O6(tach)(4)](ClO4)(4)-3CH(3)CN-4.5H(2)O in the cubic space group Fm3m and compound 11 crystallizes as [Mn4O6(bpea)(2)((c)pent-ida)(2)]-7MeOH in the monoclinic space group C2/c. The unique substitution chemistry of 1 with iminodicarboxylate ligands afforded asymmetrically ligated complexes 8-11, the mixed ligand nature of which is most likely unachievable using self-assembly synthetic methods. A special feature of the iminodicarboxylate ligand complexes 8-11 is the substantial site differentiation of the oxo bridges of the [Mn4O6](4+) cores. While there are four site-differentiated oxo bridges in 8, the solution structural symmetry of 8H(+) reveals essentially a single protonation isomer, in contrast to the observation of two protonation isomers for 1H(+), one for each of the site-differentiated oxo bridges in 1. Magnetic susceptibility measurements on 4, 7, 8, and 9 indicate that each complex is overall ferromagnetically coupled, and variable-field magnetization data for 7 and 9 are consistent with an S = 6 ground state. Electrochemical analysis demonstrates that ligand substitution of bpea affords accessibility to the Mn-V(Mn-IV)(3) oxidation state.

  DOI：

  10.1021/ic050183w