bis(1,1-diethyl-3-benzoyl-thioureato)copper(II) | 58676-55-4

• 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: bis(1,1-diethyl-3-benzoyl-thioureato)copper(II)
• 英文别名: bis(N,N-diethyl-N'-benzoyl-thiourea-O,S-)copper；bis(N,N-diethyl-N'-benzoylthioureato)copper(II)；Cu(N,N-diethyl-N'-benzoylthioureate)2；copper;N'-benzoyl-N,N-diethylcarbamimidothioate
• CAS: 58676-55-4；219823-71-9；75947-03-4
• 化学式: C₂₄H₃₀CuN₄O₂S₂
• 分子量: 534.206
• InChiKey: HMLQHLQBTUGHAS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) α-thiopicolinanilidate 、 bis(1,1-diethyl-3-benzoyl-thioureato)copper(II) 以 氯仿 为溶剂， 生成 Cu(N-benzoyl-N',N'-diethylthiocarbamide)(thiopicolineanilide)
  参考文献：
  名称：

  自旋转移到铜（II）配合物中的近邻的机理

  摘要：

  DOI：

  10.1021/j100443a014
• 作为产物：
  描述：

  tetrakis(acetato)diaquadicopper(II) 、 N'-苯甲酰基-N,N-二乙基硫脲 以 乙醇 为溶剂， 生成 bis(1,1-diethyl-3-benzoyl-thioureato)copper(II)
  参考文献：
  名称：

  Copper, nickel and cobalt complexes with N,N-disubstituted′-benzoyl thioureas

  摘要：

  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.

  DOI：

  10.1016/s0277-5387(00)81702-7

文献信息

• Synthesis and structural characterization of cobalt(II) and copper(II) complexes with N,N-disubstituted-N′-acylthioureas
  作者：Beatriz O’Reilly、Ana M. Plutín、Hiram Pérez、Osmar Calderón、Raúl Ramos、Roberto Martínez、Rubén A. Toscano、Julio Duque、Humberto Rodríguez-Solla、Roberto Martínez-Alvarez、Margarita Suárez、Nazario Martín

  DOI：10.1016/j.poly.2012.02.008

  日期：2012.4

  A new complexes of Co(II) and Cu(II) with N,N-disubstituted-N'-acylthioureas have been prepared and characterized by elemental analysis, and spectroscopic techniques. The structure of N,N-diethyl-N'-furoylthiourea and Co(II) complexes with N,N-diethyl-N'-furoyl- and N,N-diethyl-N'-benzoylthiourea were determined by X-ray crystallography. The structural data reveal that the acylthiourea moiety adopts a cis conformation in the crystal and the complexes show a slightly distorted square-planar geometry. (c) 2012 Elsevier Ltd. All rights reserved.