N-(methylpentylcarbamothioyl)benzamide | 1313809-29-8

• 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: N-(methylpentylcarbamothioyl)benzamide
• 英文别名: N-[methyl(pentyl)carbamothioyl]benzamide
• CAS: 1313809-29-8
• 化学式: C₁₄H₂₀N₂OS
• 分子量: 264.392
• InChiKey: FMQXVQJKWISVBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [CuCl₂(PPh₃)₂] 、 N-(methylpentylcarbamothioyl)benzamide 以 苯 为溶剂， 以85%的产率得到CuCl(N-(methylpentylcarbamothioyl)benzamide)(PPh3)2
  参考文献：
  名称：

  Hypodentate coordination of N,N-di(alkyl/aryl)-N′-acylthiourea derivatives in Cu(I) complexes

  摘要：

  New four-coordinated tetrahedral Cu(I) complexes of the general formula [CuCl(HL)(PPh3)(2)] have been synthesized from the reactions between [CuCl2(PPh3)(2)] and N-(dibenzylcarbamothioyl)benzamide (HL1) or N-(methylpentylcarbamothioyl)benzamide (HL2) in benzene. The complexes have been characterized by elemental analyses, IR, UV-Vis, H-1, C-13 and P-31 NMR spectroscopy. The molecular structures of [CuCl(HL1)(PPh3)(2)] (1) and [CuCl(HL2)(PPh3)(2)] (2) were determined by single crystal X-ray crystallography. Each complex displays a distorted tetrahedral, ClP2S, coordination geometry with hypodentate coordination of acylthiourea ligands which coordinate the Cu(I) centre through sulfur atom exclusively. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.12.002

文献信息

• Hypodentate coordination of N,N-di(alkyl/aryl)-N′-acylthiourea derivatives in Cu(I) complexes
  作者：N. Gunasekaran、S.W. Ng、E.R.T. Tiekink、R. Karvembu

  DOI：10.1016/j.poly.2011.12.002

  日期：2012.2

  New four-coordinated tetrahedral Cu(I) complexes of the general formula [CuCl(HL)(PPh3)(2)] have been synthesized from the reactions between [CuCl2(PPh3)(2)] and N-(dibenzylcarbamothioyl)benzamide (HL1) or N-(methylpentylcarbamothioyl)benzamide (HL2) in benzene. The complexes have been characterized by elemental analyses, IR, UV-Vis, H-1, C-13 and P-31 NMR spectroscopy. The molecular structures of [CuCl(HL1)(PPh3)(2)] (1) and [CuCl(HL2)(PPh3)(2)] (2) were determined by single crystal X-ray crystallography. Each complex displays a distorted tetrahedral, ClP2S, coordination geometry with hypodentate coordination of acylthiourea ligands which coordinate the Cu(I) centre through sulfur atom exclusively. (C) 2011 Elsevier Ltd. All rights reserved.