[CuCl(o-O-C6H4-CH=NO-C(CH3)=NH)] | 1307804-83-6

• 英文名称: [CuCl(o-O-C6H4-CH=NO-C(CH3)=NH)]
• CAS: 1307804-83-6
• 化学式: C₉H₉ClCuN₂O₂
• 分子量: 276.182
• InChiKey: FCLQTOABHZLHFL-ULJODZNCSA-L

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：

  copper(II) choride dihydrate 、 水杨醛肟 、 乙腈 以 乙腈 为溶剂， 以30%的产率得到[CuCl(o-O-C6H4-CH=NO-C(CH3)=NH)]
  参考文献：
  名称：

  Copper(II)-mediated oxime–nitrile coupling in non-aqueous solutions: Synthetic, structural and magnetic studies of the copper(II)–salicylaldehyde oxime reaction system

  摘要：

  The reactions of salicylaldehyde oxime (H(2)salox) with Cu-II precursors yielded the known complexes [Cu(Hsalox)(2)] (1) and [Cu(Hsalox)(2)](n) (2), as well as complexes [Cu-3(salox)(L-1)(L-2)]center dot MeCN (3 center dot MeCN), [CuCl(L-1)] (4) and [Cu2Na(O2CMe)(5)(HO2CMe)](n) (5), where L-1 = o-O-C6H4-CH=NO-C(CH3)=NH and L-2(3) = o-O-C6H4-CH=NO-C(o-O-C6H4)=N. L-1 was formed in situ via the nucleophilic addition of the oximato O-atom of salox(2) to the unsaturated nitrile group of the MeCN reaction solvent. L-2(3) is also formed in situ probably through the nucleophilic attack of the oximato O-atom to the unsaturated nitrile group of salicylnitrile; the latter, although not directly added to the reaction mixture, can be produced via the dehydration of salox(2). Compounds 1 and 2 contain Hsalox bound to the metal center in two different coordination modes; they both contain the same mononuclear unit, however a 2D network is generated in 2 due to a relatively long Cu-O-oximato bond. Compound 3 contains three different ligands, i.e. salox(2) , L-1 and L-2(3) , which act as mu(3)-kappa O-2:kappa O':kappa N, kappa O:kappa N:kappa N' and mu(3)-kappa O-2:kappa N-2:kappa O':kappa N', respectively, whereas 4 consists of a square planar Cu-II atom bound to a kappa O:kappa N:kappa N' L-1 and a chloride ion. Compound 5 consists of dinuclear [Cu-2(O2CMe)(5)(HO2CMe)] units and Na+ ions assembled into an overall 3D network structure. Magnetic susceptibility measurements from polycrystalline samples of 2 and 5 gave best-fit parameters J = +0.36 cm (1) (H = -J (S) over cap (i)(S) over cap (j)) and J = -360 cm (1), zj = +20 cm (1) (H = -J (S) over cap (i)(S) over cap (j) - zJ < S-z > i (S) over cap (z)), respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.036