[Co(III)(N-(dibutylcarbamothioyl)benzamide(-H))3] | 84739-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Co(III)(N-(dibutylcarbamothioyl)benzamide(-H))3]
• CAS: 84739-94-6
• 化学式: C₄₈H₆₉CoN₆O₃S₃
• 分子量: 933.305
• InChiKey: HHOCUHHESIXDTK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  61.0
• 可旋转键数：
  21.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.49
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 N-[(二丁基氨基)硫氧代甲基]-苯甲酰胺 在 triethyl amine 作用下， 以 乙醇 为溶剂， 以80%的产率得到[Co(III)(N-(dibutylcarbamothioyl)benzamide(-H))3]
  参考文献：
  名称：

  Tris-chelate complexes of cobalt(III) with N-[di(alkyl/aryl)carbamothioyl] benzamide derivatives: Synthesis, crystallography and catalytic activity in TBHP oxidation of alcohols

  摘要：

  New six coordinated tris-chelate cobalt(III) complexes of the type [Co(L)(3)] (1-4) {where HL = N-[di(alkyl/aryl)carbamothioyl]benzamide derivatives} were prepared from the reaction between CoCl2 center dot 6H(2)O and N-[di(alkyl/aryl)carbamothioyl]benzamide in ethanol and characterized by elemental analysis and spectral data (UV/Vis, IR,H-1 & (CNMR)-C-13). The molecular structure of a representative complex [Co(L1)(3)] (1) [where HL1 = N-(diisopropylcarbamothioyl)benzamide], was determined by single crystal X-ray diffraction method and reveals a distorted octahedral geometry and a facial configuration of S atoms around the Co(III) center. These complexes act as efficient catalysts for the oxidation of alcohols to their corresponding aldehydes or ketones in presence of tert-butyl hydroperoxide (TBHP) at 80 degrees C. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.11.019

文献信息

• Copper, nickel and cobalt complexes with N,N-disubstituted′-benzoyl thioureas
  作者：Aminou Mohamadou、Isabelle Déchamps-Olivier、Jean-Pierre Barbier

  DOI：10.1016/s0277-5387(00)81702-7

  日期：1994.5

  The complexes of 8 N,N-disubstituted,N'-benzoyl thioureas with copper, nickel and cobalt have been studied. NMR spectra and magnetic measurements have shown square planar NiL2 and fac CoL3 compounds. The electrochemical parameters obtained from cyclic voltammetry for the irreversible process copper(II)/copper(I) redox systems are slightly influenced by the different substituents.