Cu4(4-(pyridin-2-yl)pyrimidine-2-thiolato)4 | 944956-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Cu4(4-(pyridin-2-yl)pyrimidine-2-thiolato)4
• 英文别名: [Cu₄(4-(pyridin-2-yl)pyrimidine-2-thiolate)₄]
• CAS: 944956-81-4
• 化学式: C₃₆H₂₄Cu₄N₁₂S₄
• 分子量: 1007.11
• InChiKey: PPSHFNKXMTUUHZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-(2-吡啶)嘧啶-2-硫醇 、 copper(l) chloride 在 Et₃N 作用下， 以 甲醇 、 乙腈 为溶剂， 以83%的产率得到Cu4(4-(pyridin-2-yl)pyrimidine-2-thiolato)4
  参考文献：
  名称：

  Cleavage of C−S Bonds with the Formation of a Tetranuclear Cu(I) Cluster

  摘要：

  The treatment of a ligand, 2,6-bis((4-(pyridin-2-yl)pyrimidin-2-ylthio)methyl)-4-chlorophenol (ClPPT2), with cuprous chloride under a weak base condition led to the formation of a neutral Cu-4(I)-centered cluster [Cu-4(PPT2)(4)], whose X-ray diffraction analysis indicated that C-S bonds of the ligand were cleaved in the course of the reaction. To explain the C-S bond cleavage, a reasonable mechanism has been proposed. In support of it, four additional ligands, 2,6-bis((4-(pyridin-2-yl)pyrimidin-2-ylthio)methyl)-4-methylphenol (MePPT2), 2,6-bis((4-(pyridin-3-yl)pyrimidin-2-ylthio)methyl)-4-methylphenol (MePPT3), 2,6-bis((4-(pyridin-3-yl)pyrimidin-2-ylthio)methyl)-4-chlorophenol (ClPPT3), and 5-((4-(pyridin-3-yl)pyrimidin-2-ylthio)methyl)-2-hydroxybenzaldehyde (HBPPT2) were further tested to undertake the analogous reaction, and the cleaved products in these experiments were detected by electrospray ionization mass spectrometry techniques to clarify the process.

  DOI：

  10.1021/ic062059y

文献信息

• Solvothermal heterocyclic disulfide/CuX2 (X = Cl, ClO4) reactions involving dynamic S–S and C–S bond cleavage
  作者：Hai-Bin Zhu、Gang Yao、Wei-Si Li

  DOI：10.1007/s11243-015-9996-0

  日期：2016.2

  (L1 = 4-(pyridin-2-yl)pyrimidin-2-ol) involving C–S bond scission followed by attack of water. At 120 °C in DMF–MeOH solvent, reaction of 2-ppds with Cu(ClO4)2 resulted in transformation to L2 (L2 = 4-(pyridin-2-yl)pyrimidine-2-thiolate) through reductive cleavage of the S–S bond concurrent with reduction of Cu2+ to Cu+, leading to the formation of a single tetranuclear coordination complex, [Cu4(L2)4] (2), that

  在不同的溶剂热条件下，2-ppds (2-ppds = di[4-(pyridin-2-yl)pyrimidinyl]disulfide) 与 CuX2 (X = ClO4 或 Cl) 的反应产生了明显不同的结果，因为原位反应不同2-ppds 涉及动态 S-S 和 C-S 键裂解。在 90 °C 时，2-ppds 与 Cu( )2 在 CH3CN–CH2Cl2 href=https://www.molaid.com/MS_3163 target="_blank">L2 混合溶剂中的反应产生了一个离散的单核络合物，[Cu(L1)2( )] (1)，其中 2-ppds 是转化为 L1 (L1 = 4-(pyridin-2-yl)pyrimidin-2-ol) 的两性离子，包括 C-S 键断裂，然后是水的攻击。在 120 °C 的 DMF-MeOH 溶剂中，2-ppds 与 Cu( )2 的反应导致通过 S 的还原裂解转化为 L2（L2 = 4-(pyridin-2-yl)py