[Mn4(AcVan2)2(μ3-OMe)(μ-OMe)2(MeOH)2] | 1357363-37-1

• 英文名称: [Mn4(AcVan2)2(μ3-OMe)(μ-OMe)2(MeOH)2]
• CAS: 1357363-37-1
• 化学式: C₄₄H₅₆Mn₄O₂₀
• 分子量: 1124.67
• InChiKey: UHCXMXBZLGOZOW-REXQTRSRSA-J

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：

  甲醇 、 邻香草醛 、 丙酮 、 manganese(ll) chloride 在 Et₄NOH 作用下， 以 甲醇 、 丙酮 为溶剂， 以66%的产率得到[Mn4(AcVan2)2(μ3-OMe)(μ-OMe)2(MeOH)2]
  参考文献：
  名称：

  Novel in situ manganese-promoted double-aldol addition

  摘要：

  A novel in situ Mnn+-promoted double-aldol reaction is reported. Single crystal X-ray measurements confirm the addition of acetone to two o-vanillin molecules in an original in situ alpha,alpha double aldol reaction promoted by Mn ions in the presence of base. The newly formed ligands coordinate to four Mn-III ions forming a defect-dicubane core structure (1) bridged exclusively by oxygen-based ligands. Other 3d metals were employed under the same reaction conditions, however no aldol addition occurred and tetranuclear cubane-like structures formed using Co-II (2) and Ni-II (3) ions. Magnetic measurements were carried out on all complexes using SQUID magnetometry. Dominant ferromagnetic interactions were observed for complexes 1 and 3 with J = 1.8 cm(-1), J' = -2.5 cm(-1), g = 1.95 for 1 and J = 3.1 cm(-1), g = 2.17 for 3 while complex 2 exhibited antiferromagnetic exchange interactions. Notably, complex 1 was shown to exhibit spin frustration rarely seen in {Mn-III}(4) systems resulting in an intermediate spin ground state of S-T = 6. Crown Copyright (C) 2011 Published by Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.11.023