Copper, 1H-pyrimidine-2-thione | 69306-90-7

• 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: Copper, 1H-pyrimidine-2-thione
• CAS: 69306-90-7
• 化学式: C₄H₃N₂S*Cu
• 分子量: 174.693
• InChiKey: VZQLRDGFUKRHPN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 2-巯基嘧啶 在 Na 作用下， 以 乙醇 为溶剂， 生成 Copper, 1H-pyrimidine-2-thione
  参考文献：
  名称：

  探索铜（I）配合物低聚中的空间限制的极限：两种空间拥塞的低聚物的结构

  摘要：

  寡聚铜（I）团簇是通过芳基氧化铜（I）插入杂聚烯中而形成的。已经探究了改变杂枯烯和芳氧基的空间需求对形成的低聚物的核的影响。与PhNCS与铜（I）2-甲氧基苯氧化物和铜（I）2-甲基苯氧化物的反应分别形成六[ N-苯基亚氨基（芳氧基）甲烷硫醇铜（I）] 3和4六聚体。单晶X射线数据证实了3的结构。CS 2与由2,6-二叔丁基形成的芳氧基铜（I）的相似插入反应丁基-4-甲基苯酚和2,6-二甲基苯酚产生具有（芳氧基）硫代黄原酸酯配体的低聚铜（I）络合物7和8。从单晶X射线晶体学证实复合物7为四聚体。与2-巯基嘧啶进行的反应具有类似于N-烷基亚氨基（芳氧基）甲硫醇盐的连接特性，导致形成不溶的聚合物络合物11。寡聚复合物的荧光光谱有助于确定其核数。已经显示，配体的杂枯烯或芳氧基部分的空间需求的减少可以补偿空间约束并促进低聚。

  DOI：

  10.1016/s0277-5387(98)00371-4

文献信息

• Acceptorless Dehydrogenation of Alcohols Catalyzed by Cu^I<i>N</i>-Heterocycle Thiolate Complexes
  作者：Da-Wei Tan、Hong-Xi Li、Meng-Juan Zhang、Jian-Lin Yao、Jian-Ping Lang

  DOI：10.1002/cctc.201601459

  日期：2017.3.20

  CuI N‐heterocycle thiolate clusters efficiently catalyze the acceptorless dehydrogenation of alcohols at 70 °C. A variety of secondary/primary benzylic, allylic, and aliphatic alcohols are dehydrogenated to the corresponding ketones and aldehydes in high yields of isolated product upon release of H2. This simple catalytic system is involved in the synthesis of imines through the one‐pot reaction of

  Cu I N杂环硫醇盐簇在70°C时有效催化醇的无受体脱氢。释放H 2时，可以以高收率的分离产物将各种仲/伯苄基，烯丙基和脂族醇脱氢成相应的酮和醛。这个简单的催化系统通过醇和胺的一锅法反应参与亚胺的合成。
• Red luminescent polymeric cuprous organosulfide generated by solvothermal redox reaction
  作者：Lei Han、Maochun Hong、Ruihu Wang、Benlai Wu、Ying Xu、Benyong Lou、Zhengzhong Lin

  DOI：10.1039/b409000d

  日期：——

  A new polymeric metal organosulfide [CuI3(pymt)3]n (pymt = pyrimidine-2-thiolate) with strong red photoluminescence was synthesized through solvothermal redox reaction, and crystallographically characterized to be a one-dimensional chiral structure containing metal–metal interactions.

  一种新型聚合金属有机硫化物[CuI3(pymt)3]n 通过溶剂热氧化还原反应合成了具有强红色光致发光的（pymt=pyrimidine-2-thiolate），并通过晶体学表征为含有金属-金属相互作用的一维手性结构。
• Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands
  作者：Almudena Gallego、Oscar Castillo、Carlos J. Gómez-García、Félix Zamora、Salome Delgado

  DOI：10.1021/ic202255w

  日期：2012.1.2

  The solvothermal reactions between pyrimidinedisulfide (pym(2)S(2)) and CuI or CuBr2 in CH2Cl2:CH3CN lead to the formation of [CuIII7(pymS)(4)](n) (pymSH = pyrimidine-2(1H)-thione) (1) and the dimer [Cull(mu-Br)(Br)L](2) (L = 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde) (2). In the later reaction, there is an in situ S S, S C(sp(2)), and C(sp2)-N multiple bond cleavage of the pyrimidinedisulfide resulting in the formation of 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde. Interestingly, similar reactions carried out just with a change in the solvent (H2O:CH3CN instead of CH2Cl2:CH3CN) give rise to the formation of coordination polymers with rather different architectures. Thus, the reaction between pym(2)S(2) and CuI leads to the formation of [Cu3I(pymS)(2)](n) (3) and [CuI(pym(2)S(3))] (pym(2)S(3) = pyrimidiltrIsulfide) (4), while [Cu3Br(pymS)(2)](n) (5) is isolated in the reaction with CuBr2. Finally, the solvothermal reactions between CuI and pyrimidine-2-thione (pymSH) in CH2Cl2:CH3CN at different ratios, 1:1 or 2:1, give the polymers [Cu2I2(pymSH)(2)](n) (6) and [Cu2I2(pymSH)] (7), respectively. The structure of the new compounds has been determined by X-ray diffraction. The studies of the physical properties of the novel coordination polymers reveal that compounds 3 and 5 present excellent electrical conductivity values at room temperature, while compounds 1, 3, and 5-7 show luminescent strong red emission at room temperature.
• Probing the limits of steric constraints in the oligomerization of copper(I) complexes: structures of two sterically congested oligomers
  作者：Christina Wycliff、D.Saravana Bharathi、Ashoka G Samuelson、Munirathinam Nethaji

  DOI：10.1016/s0277-5387(98)00371-4

  日期：1999.2

  ethanethiolato copper(I)] 3 and 4 respectively. Single crystal X-ray data confirmed the structure of 3. Similar insertion reactions of CS2 with the copper(I) aryloxides formed by 2,6-di-tert-butyl-4-methylphenol and 2,6-dimethylphenol result in oligomeric copper(I) complexes 7 and 8 having the (aryloxy)thioxanthate ligand. Complex 7 was confirmed to be a tetramer from single crystal X-ray crystallography

  寡聚铜（I）团簇是通过芳基氧化铜（I）插入杂聚烯中而形成的。已经探究了改变杂枯烯和芳氧基的空间需求对形成的低聚物的核的影响。与PhNCS与铜（I）2-甲氧基苯氧化物和铜（I）2-甲基苯氧化物的反应分别形成六[ N-苯基亚氨基（芳氧基）甲烷硫醇铜（I）] 3和4六聚体。单晶X射线数据证实了3的结构。CS 2与由2,6-二叔丁基形成的芳氧基铜（I）的相似插入反应丁基-4-甲基苯酚和2,6-二甲基苯酚产生具有（芳氧基）硫代黄原酸酯配体的低聚铜（I）络合物7和8。从单晶X射线晶体学证实复合物7为四聚体。与2-巯基嘧啶进行的反应具有类似于N-烷基亚氨基（芳氧基）甲硫醇盐的连接特性，导致形成不溶的聚合物络合物11。寡聚复合物的荧光光谱有助于确定其核数。已经显示，配体的杂枯烯或芳氧基部分的空间需求的减少可以补偿空间约束并促进低聚。