Mn(N-(4-carboxybenzyl)iminodiacetic acid(-2H))(H₂O) | 1632119-40-4

• 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: Mn(N-(4-carboxybenzyl)iminodiacetic acid(-2H))(H₂O)
• 英文别名: [Mn(N-(4-carboxybenzyl)iminodiacetic acid )(H2O)]
• CAS: 1632119-40-4
• 化学式: C₁₂H₁₁NO₆*H₂O*Mn
• 分子量: 338.176
• InChiKey: KCHPCKDMQZQMPX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.14
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  152.3
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  manganese(II) chloride tetrahydrate 、 N-(4-carboxybenzyl)iminodiacetic acid monohydrate 以 水 为溶剂， 反应 48.0h， 以61%的产率得到Mn(N-(4-carboxybenzyl)iminodiacetic acid(-2H))(H₂O)
  参考文献：
  名称：

  Synthesis, Characterization, Magnetic and Catalytic Properties of a Ladder‐Shaped Mn ^II Coordination Polymer

  摘要：

  Abstract[Mn(LH)(H2O)]n {1, where LH2– is the dianion of N‐(4‐carboxybenzyl)iminodiacetic acid} has been synthesized and its crystal structure has been determined. The crystal of 1 is built from 1D polymeric ladder‐shaped chains that extend to a 3D supramolecular architecture through H‐bonds. The compound was characterized with spectroscopic and physicochemical techniques. Variable‐temperature magnetic data suggest that there are weak antiferromagnetic interactions. Compound 1 has been evaluated as a heterogeneous oxidation catalyst. It catalyzes alkene epoxidation selectively in relatively high yields.

  DOI：

  10.1002/ejic.201402419
• 作为试剂：
  描述：

  2-环己烯醇 在 Mn(N-(4-carboxybenzyl)iminodiacetic acid(-2H))(H₂O) 、 ammonium acetate 、 双氧水 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 6.0h， 生成 2-环己烯-1-酮 、 7-氧杂二环[4.1.0]庚烷-5-醇
  参考文献：
  名称：

  Synthesis, Characterization, Magnetic and Catalytic Properties of a Ladder‐Shaped Mn ^II Coordination Polymer

  摘要：

  Abstract[Mn(LH)(H2O)]n {1, where LH2– is the dianion of N‐(4‐carboxybenzyl)iminodiacetic acid} has been synthesized and its crystal structure has been determined. The crystal of 1 is built from 1D polymeric ladder‐shaped chains that extend to a 3D supramolecular architecture through H‐bonds. The compound was characterized with spectroscopic and physicochemical techniques. Variable‐temperature magnetic data suggest that there are weak antiferromagnetic interactions. Compound 1 has been evaluated as a heterogeneous oxidation catalyst. It catalyzes alkene epoxidation selectively in relatively high yields.

  DOI：

  10.1002/ejic.201402419