1-benzoyl-(3-benzyl-3-ethyl)thiourea

• 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: 1-benzoyl-(3-benzyl-3-ethyl)thiourea
• 英文别名: N-[benzyl(ethyl)carbamothioyl]benzamide
• 化学式: C₁₇H₁₈N₂OS
• 分子量: 298.409
• InChiKey: BACZLCUCHUMJBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  1-benzoyl-(3-benzyl-3-ethyl)thiourea 、 cobalt(II) acetate 以 甲醇 为溶剂， 反应 5.0h， 以53.47%的产率得到tris(1-benzoyl-(3-benzyl-3-ethyl)thiourea)cobalt(III)
  参考文献：
  名称：

  Synthesis, structure and spectroscopic properties of cobalt(III) complexes with 1-benzoyl-(3,3-disubstituted)thiourea

  摘要：

  Reactions of Co(II) acetate with 1-benzoyl-(3-methyl-3-R)thiourea (R = ethyl, propyl, cyclohexyl and phenyl) and 1-benzoyl-(3-ethyl-3-benzyl)thiourea ligands, herein refer to as 1-benzoyl-(3,3-disubstituted)thiourea, derived from secondary alkyl- and arylamines gave [tris(1-benzoyl-(3, 3-disubstituted)thiourea)cobalt(III)] complexes. The neutral cobalt(III) complexes were afforded through a one-pot reaction between a deprotonated 1-benzoyl-(3,3-disubstituted)thiourea ligands with cobalt(II) acetate with a 1:3 ratio in methanol. These complexes were characterized on the basis of elemental analysis, mass spectrometry, magnetic susceptibility measurement, X-ray crystallography and spectroscopic techniques namely infrared, UV-Vis and nuclear magnetic resonance. Based on the magnetic susceptibility and spectroscopic data as well as X-ray crystallographic structure of the octahedron [tris(1-benzoyl-(3-methyl-3-phenyl)thiourea)cobalt(III)] complex, it can be concluded that the ligands behave as bidentate O,S chelate. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2013.11.005
• 作为产物：
  描述：

  N-乙基苄胺 、 苯甲酰基异硫氰酸酯 以 丙酮 为溶剂， 反应 4.0h， 以52.27%的产率得到1-benzoyl-(3-benzyl-3-ethyl)thiourea
  参考文献：
  名称：

  Synthesis, structure and spectroscopic properties of cobalt(III) complexes with 1-benzoyl-(3,3-disubstituted)thiourea

  摘要：

  Reactions of Co(II) acetate with 1-benzoyl-(3-methyl-3-R)thiourea (R = ethyl, propyl, cyclohexyl and phenyl) and 1-benzoyl-(3-ethyl-3-benzyl)thiourea ligands, herein refer to as 1-benzoyl-(3,3-disubstituted)thiourea, derived from secondary alkyl- and arylamines gave [tris(1-benzoyl-(3, 3-disubstituted)thiourea)cobalt(III)] complexes. The neutral cobalt(III) complexes were afforded through a one-pot reaction between a deprotonated 1-benzoyl-(3,3-disubstituted)thiourea ligands with cobalt(II) acetate with a 1:3 ratio in methanol. These complexes were characterized on the basis of elemental analysis, mass spectrometry, magnetic susceptibility measurement, X-ray crystallography and spectroscopic techniques namely infrared, UV-Vis and nuclear magnetic resonance. Based on the magnetic susceptibility and spectroscopic data as well as X-ray crystallographic structure of the octahedron [tris(1-benzoyl-(3-methyl-3-phenyl)thiourea)cobalt(III)] complex, it can be concluded that the ligands behave as bidentate O,S chelate. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2013.11.005

文献信息

• Synthesis, structure and spectroscopic properties of cobalt(III) complexes with 1-benzoyl-(3,3-disubstituted)thiourea
  作者：Siew San Tan、Aisha A. Al-abbasi、Mohamed Ibrahim Mohamed Tahir、Mohammad B. Kassim

  DOI：10.1016/j.poly.2013.11.005

  日期：2014.1

  Reactions of Co(II) acetate with 1-benzoyl-(3-methyl-3-R)thiourea (R = ethyl, propyl, cyclohexyl and phenyl) and 1-benzoyl-(3-ethyl-3-benzyl)thiourea ligands, herein refer to as 1-benzoyl-(3,3-disubstituted)thiourea, derived from secondary alkyl- and arylamines gave [tris(1-benzoyl-(3, 3-disubstituted)thiourea)cobalt(III)] complexes. The neutral cobalt(III) complexes were afforded through a one-pot reaction between a deprotonated 1-benzoyl-(3,3-disubstituted)thiourea ligands with cobalt(II) acetate with a 1:3 ratio in methanol. These complexes were characterized on the basis of elemental analysis, mass spectrometry, magnetic susceptibility measurement, X-ray crystallography and spectroscopic techniques namely infrared, UV-Vis and nuclear magnetic resonance. Based on the magnetic susceptibility and spectroscopic data as well as X-ray crystallographic structure of the octahedron [tris(1-benzoyl-(3-methyl-3-phenyl)thiourea)cobalt(III)] complex, it can be concluded that the ligands behave as bidentate O,S chelate. (C) 2013 Published by Elsevier Ltd.