5-ethyl-4,6-dimethyl-pyrimidine-2-thione | 208832-51-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-ethyl-4,6-dimethyl-pyrimidine-2-thione
• 英文别名: 4,6-dimethyl-5-ethylpyrimidine-2-thione；5-ethyl-4,6-dimethyl-1H-pyrimidine-2-thione
• CAS: 208832-51-3
• 化学式: C₈H₁₂N₂S
• 分子量: 168.263
• InChiKey: OUQYFNLOQVESHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-ethyl-4,6-dimethyl-pyrimidine-2-thione 在 tetraethylammonium perchlorate 作用下， 以 乙腈 为溶剂， 生成 (4,6-dimethyl-5-ethylpyrimidine-2-thionate)(bis(diphenylphosphanyl)methane)silver(I)
  参考文献：
  名称：

  铜 (I)、银 (I) 和金 (I) 配合物与 2-硫代嘧啶配体及其与磷烷的加合物的合成和结构表征

  摘要：

  通过电化学氧化合成了一系列嘧啶-2-硫代衍生物（RpymS-；R = 4,6-Me2,5-Et；4-CF3；4,6-CF3,Ph）的均质铜和银化合物。阳极金属（铜或银）在含有适当硫酮的乙腈溶液和少量高氯酸四乙铵作为电解载体的电解槽中。这些嘧啶-2-硫代化合物与三苯基膦或双（二苯基膦基）甲烷 (dppm) 在乙腈中的后续反应允许合成相应的杂配配合物。[Au(PPh3)Cl] 与相应的嘧啶-2-硫酮在乙醇中在三乙胺存在下反应得到 [Au(4,6-Me2,5-EtpymS)(PPh3)] 和 [Au(4-CF3pymS) )(PPh3)] 收率良好。这些化合物通过微量分析、红外光谱、FAB-MS 和，当充分溶解时，1H、13C 和 31P NMR 光谱。化合物 [Cu6(4,6-CF3PhpymS)6] (1), [Ag6(4,6-Me2,5-EtpymS)6]·2MeOH·3H2O (2),

  DOI：

  10.1002/ejic.201100156

文献信息

• Electrochemical synthesis and characterization of indium pyrimidine-2-thiolate complexes. Molecular structure of tris(pyrimidine-2-thiolato) indium (III) and tris [(5-ethyl-4,6-dimethyl) pyrimidine-2-thiolato]indium(III)
  作者：Jaime Romero、María L. Durán、Antonio Rodriguez、Jose A. García-Vázquez、Antonio Sousa、David J. Rose、Jon Zubieta

  DOI：10.1016/s0020-1693(97)05990-2

  日期：1998.6

  The electrochemical oxidation of anodic indium in an acetonitrile solution of neutral heterocyclic pyrimidine-2-thiones [RpymtH] yielded complexes of stoichiometry [In(Rpymt) 3 ]. The crystal structures of tris(pyrimidine-2-thiolato)indium(III) and tris[(5-ethyl-4,6-dimethyl)pyrimidine-2-thiolato]indium(III) have been determined by X-ray diffraction. In both compounds the metal has a distorted InS

  在中性杂环嘧啶-2-硫酮[RpymtH]的乙腈溶液中对阳极铟进行电化学氧化，得到化学计量的配合物[In（Rpymt）3]。通过X射线衍射测定了三（嘧啶-2-硫代甲基）铟（III）和三[（5-乙基-4,6-二甲基）嘧啶-2-硫代丁基]铟（III）的晶体结构。在这两种化合物中，金属均具有扭曲的InS 3 N 3八面体几何形状。通过1 H，13 C和19 F NMR研究了这些化合物在溶液中的结构。
• Electrochemical synthesis and characterization of zinc(II) complexes with pyrimidine-2-thionato ligands and their adducts with N,N donors
  作者：Antonio Rodríguez、Antonio Sousa-Pedrares、José A. García-Vázquez、Jaime Romero、Antonio Sousa

  DOI：10.1016/j.poly.2009.03.029

  日期：2009.7

  Zinc complexes with pyrimidine-2-thionato ligands with the general formula [Zn(RpymS)(2)] can be easily obtained by electrochemical oxidation of a zinc anode in a cell containing an acetonitrile solution of the appropriate thione (RpymSH, R = 4,6-Me-2,5-Et; 4-CF3 and 4,6-CF3,Me). When 2,2'-bipyridine (bipy) or 1,10-phenanthroline (phen) were added to the cell, the corresponding adducts [Zn(RpymS)(2)L] were also obtained (L = bipy, phen). All of the compounds have been characterized by microanalysis, mass spectrometry, IR spectroscopy and, for compounds that were sufficiently soluble, by H-1 and C-13 NMR spectroscopy. The compounds [Zn(4,6-Me-2,5-EtpymS)(2)(MeOH)] (4). [Zn(4-CF(3)pymS)(2)(phen)] (7) and [Zn(4,6-CF3,Mepyms)(2)(bipy)] (9) were also characterized by X-ray diffraction. The structures of all of these complexes consist of discrete molecules. In complex 4. the pyrimidine-2-thionato acts as an S,N bidentate chelating ligand. The coordination number for Zn is five and the fifth position is occupied by an oxygen atom from a methanol molecule. In 7 and 9, the coordination number for the metal centre is four. In these cases the thionato ligands show a monodentate behaviour, using the exocyclic sulfur to bind the zinc atom. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and Structural Characterization of Copper(I), Silver(I) and Gold(I) Complexes with Pyrimidine‐2‐thionato Ligands and their Adducts with Phosphanes
  作者：Antonio Rodríguez、Antonio Sousa‐Pedrares、José A. García‐Vázquez、Jaime Romero、Antonio Sousa

  DOI：10.1002/ejic.201100156

  日期：2011.8

  Homoleptic copper and silver compounds of a series of pyrimidine-2-thionato derivatives (RpymS–; R = 4,6-Me2,5-Et; 4-CF3; 4,6-CF3,Ph) have been synthesized by electrochemical oxidation of anodic metal (copper or silver) in a cell containing an acetonitrile solution of the appropriate thione and a small amount of tetraethylammonium perchlorate as electrolytic carrier. Subsequent reaction of these p

  通过电化学氧化合成了一系列嘧啶-2-硫代衍生物（RpymS-；R = 4,6-Me2,5-Et；4-CF3；4,6-CF3,Ph）的均质铜和银化合物。阳极金属（铜或银）在含有适当硫酮的乙腈溶液和少量高氯酸四乙铵作为电解载体的电解槽中。这些嘧啶-2-硫代化合物与三苯基膦或双（二苯基膦基）甲烷 (dppm) 在乙腈中的后续反应允许合成相应的杂配配合物。[Au(PPh3)Cl] 与相应的嘧啶-2-硫酮在乙醇中在三乙胺存在下反应得到 [Au(4,6-Me2,5-EtpymS)(PPh3)] 和 [Au(4-CF3pymS) )(PPh3)] 收率良好。这些化合物通过微量分析、红外光谱、FAB-MS 和，当充分溶解时，1H、13C 和 31P NMR 光谱。化合物 [Cu6(4,6-CF3PhpymS)6] (1), [Ag6(4,6-Me2,5-EtpymS)6]·2MeOH·3H2O (2),