[(C2H5N)(OHC2H4)N(C2H4O)Cu(thiocyanate)]2 | 1350616-55-5

• 英文名称: [(C2H5N)(OHC2H4)N(C2H4O)Cu(thiocyanate)]2
• CAS: 1350616-55-5
• 化学式: C₁₄H₂₈Cu₂N₄O₄S₂
• 分子量: 507.625
• InChiKey: LHJFLQBMCZOFQT-UHFFFAOYSA-N

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：

  N-乙基二乙醇胺 、 sodium thiocyanide 、 copper(II) acetate monohydrate 以 sodium hydroxide 、 水 为溶剂， 以70%的产率得到[(C2H5N)(OHC2H4)N(C2H4O)Cu(thiocyanate)]2
  参考文献：
  名称：

  Mild oxidative functionalization of alkanes and alcohols catalyzed by new mono- and dicopper(II) aminopolyalcoholates

  摘要：

  The new mono- and dicopper(II) complexes [Cu(H3L1)(NCS)] (1) and [Cu-2(mu-HL2)(2)(NCS)(2)] (2) were easily self-assembled from Cu(CH3COO)(2)center dot H2O, NaNCS, NaOH and N,N,N',N'-tetrakis(2-hydroxyethyl)ethylenediamine (H4L1) or N-ethyldiethanolamine (H2L2), respectively. They were fully characterized by IR spectroscopy, ESI-MS(+/-), elemental and single-crystal X-ray diffraction analyses, and applied as homogeneous catalysts for (i) the oxidation of alkanes by r-BuOOH in air to alkyl peroxides, alcohols and ketones, and in turn the oxidation of alcohols to ketones, and (ii) the single-pot aqueous medium hydrocarboxylation, by CO, H2O and K2S2O8, of various linear and cyclic C-n (n = 5-8) alkanes into the corresponding Cn+1 carboxylic acids. Compound 1 was significantly more active in the oxygenation of alkanes and oxidation of alcohols, allowing to achieve 18% yield (TON = 800) of oxygenates in the oxidation of cyclohexane, and 78% yield (TON = 780) of cyclohexanone in the oxidation of cyclohexanol. In alkane hydrocarboxylations, 1 and 2 exhibited comparable activities with the total yields (based on alkane) of carboxylic acids attaining 39%. The selectivity parameters for oxidative transformations were measured and discussed, supporting free-radical mechanisms. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.08.028