N-(diisopropoxyphosphorothioyl)-N',N'-dimethylthiourea | 1211031-03-6

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: N-(diisopropoxyphosphorothioyl)-N',N'-dimethylthiourea
• 英文别名: Me2NC(S)NHP(S)(OiPr)2；3-di(propan-2-yloxy)phosphinothioyl-1,1-dimethylthiourea
• CAS: 1211031-03-6
• 化学式: C₉H₂₁N₂O₂PS₂
• 分子量: 284.384
• InChiKey: XVXLNIMWHHYOSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(diisopropoxyphosphorothioyl)-N',N'-dimethylthiourea 、 cadmium(II) acetate dihydrate 在 KOH 作用下， 以 乙醇 、 水 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of [Me2NC(S)NP(S)(OiPr)2]− complexes of Co(II), Ni(II), Zn(II) and Cd(II)

  摘要：

  Reaction of the Potassium salt of N-thiophosphorylthiourea Me2NC(S)NHP(S)(OiPr)(2) (HL) with Co(II), Ni(II), Zn(II) and Cd(II) cations in aqueous EtOH leads to M(L-S,S')(2) (ML2) chelate complexes. The structures of the resulting Compounds were studied by IR, UV-Vis, H-1, P-31{H-1} NMR spectroscopy and microanalysis. The metal center is found in a tetrahedral environment in complexes CoL2, ZnL2, CdL2 and square-planar in NiL2 formed by the C=S and P=S sulfur atoms of two deprotonated ligands L. According to the NMR and UV-Vis spectroscopy data it was established that the metal cation of NiL2 is in a square-planar environment in CH2Cl2, CHCl3 and C6H6, whereas NiL2 shows features of tetrahedral or octahedral complexes in acetone, DMSO and DMF Molecular structures of complexes were elucidated by single crystal X-ray diffraction analysis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.029
• 作为产物：
  描述：

  diisopropoxythiophosphoryl isothiocyanate 、 二甲胺 以 二氯甲烷 为溶剂， 反应 0.5h， 以79%的产率得到N-(diisopropoxyphosphorothioyl)-N',N'-dimethylthiourea
  参考文献：
  名称：

  Synthesis and characterization of [Me2NC(S)NP(S)(OiPr)2]− complexes of Co(II), Ni(II), Zn(II) and Cd(II)

  摘要：

  Reaction of the Potassium salt of N-thiophosphorylthiourea Me2NC(S)NHP(S)(OiPr)(2) (HL) with Co(II), Ni(II), Zn(II) and Cd(II) cations in aqueous EtOH leads to M(L-S,S')(2) (ML2) chelate complexes. The structures of the resulting Compounds were studied by IR, UV-Vis, H-1, P-31{H-1} NMR spectroscopy and microanalysis. The metal center is found in a tetrahedral environment in complexes CoL2, ZnL2, CdL2 and square-planar in NiL2 formed by the C=S and P=S sulfur atoms of two deprotonated ligands L. According to the NMR and UV-Vis spectroscopy data it was established that the metal cation of NiL2 is in a square-planar environment in CH2Cl2, CHCl3 and C6H6, whereas NiL2 shows features of tetrahedral or octahedral complexes in acetone, DMSO and DMF Molecular structures of complexes were elucidated by single crystal X-ray diffraction analysis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.029

文献信息

• Polynuclear and mixed-ligand mononuclear CuI complexes with N-thiophosphorylated thioureas and 1,10-phenanthroline or PPh3
  作者：Damir A. Safin、Maria G. Babashkina、Michael Bolte、Tania Pape、F. Ekkehardt Hahn、Maxim L. Verizhnikov、Airat R. Bashirov、Axel Klein

  DOI：10.1039/c0dt00866d

  日期：——

  Reaction of the deprotonated ligands (LI–V)− with a mixture of CuI and 1,10-phenanthroline (phen) or PPh3 leads to the mixed-ligand mononuclear complexes [Cu(phen)LI–V], [Cu(PPh3)LI–V] or [Cu(PPh3)2LI–V]. The same mixed-ligand complexes were obtained from the reaction of [Cu4LI4], [Cu8LII8], [Cu3LIII–V3] with phen or PPh3.

  N-硫代磷酸化硫脲的去质子化RC（S）NHP（S）（O i Pr）2 （R = 我2 N，HL一世;我PrNH，HL II ; 2,6-Me 2 C 6 H 3 NH，HL III，2,4,6-Me 3 C 6 H 2 NH，HL IV，aza-15-crown-5，HL V）并与铜或水溶液中的Cu（NO 3）2乙醇导致形成多核配合物[Cu 4（L I – S，S '）4 ]，[Cu 8（L II – S，S '）8 ]和[Cu 3（L III–V – S，S '）3 ]。这些化合物的结构通过IR，1 H，31 P 1 H}NMR，UV-可见光谱和元素分析。的晶体结构[铜4大号我4 ]，[铜8大号II 8 ]，[铜3大号III，IV 3 ]通过单晶X射线衍射来确定。去质子化的配体（L I–V）−与铜 和 1,10-菲咯啉 （苯酚） 或者 PPh 3导致混合配体单核络合物[Cu（phen）L
• Synthesis, crystal structure and magnetic properties of the complex Co[Me2NC(S)NP(S)(OPr-i)2]2
  作者：D. A. Safin、M. Bolte、M. G. Babashkina、A. Klein

  DOI：10.1134/s1070363210070078

  日期：2010.7

  The reaction of N-(diisopropoxyphosphorothioyl)-N',N'-dimethylthiourea [Me2NC(S)NHP(S)(OPr-i)(2), HL) potassium salt with Co(II) cation in aqueous ethanol gave the chelate complex Co(L-S,S')(2)(CoL2). The structure of the resulting compound was studied by means of IR spectroscopy, microanalysis, and X-ray analysis. The metal center was found to occur in a tetrahedral S-4 environment formed by the C=S and P=S sulfur atoms of two deprotonated ligands L. Magnetic properties of the complex CoL2 were also studied.
• Synthesis and characterization of [Me2NC(S)NP(S)(OiPr)2]− complexes of Co(II), Ni(II), Zn(II) and Cd(II)
  作者：Damir A. Safin、Michael Bolte、Maria G. Babashkina、Henryk Kozlowski

  DOI：10.1016/j.poly.2009.06.029

  日期：2010.1

  Reaction of the Potassium salt of N-thiophosphorylthiourea Me2NC(S)NHP(S)(OiPr)(2) (HL) with Co(II), Ni(II), Zn(II) and Cd(II) cations in aqueous EtOH leads to M(L-S,S')(2) (ML2) chelate complexes. The structures of the resulting Compounds were studied by IR, UV-Vis, H-1, P-31H-1} NMR spectroscopy and microanalysis. The metal center is found in a tetrahedral environment in complexes CoL2, ZnL2, CdL2 and square-planar in NiL2 formed by the C=S and P=S sulfur atoms of two deprotonated ligands L. According to the NMR and UV-Vis spectroscopy data it was established that the metal cation of NiL2 is in a square-planar environment in CH2Cl2, CHCl3 and C6H6, whereas NiL2 shows features of tetrahedral or octahedral complexes in acetone, DMSO and DMF Molecular structures of complexes were elucidated by single crystal X-ray diffraction analysis. (C) 2009 Elsevier Ltd. All rights reserved.