di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane | 1296251-29-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane
• 英文别名: 2-(Dipyridin-2-ylmethylsulfanyl)pyrimidine；2-(dipyridin-2-ylmethylsulfanyl)pyrimidine
• CAS: 1296251-29-0
• 化学式: C₁₅H₁₂N₄S
• 分子量: 280.353
• InChiKey: HHYUFUZVJSZTGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane 、 palladium dichloride 以 乙腈 为溶剂， 以98%的产率得到cis-dichloro(di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane)palladium(II) semihydrate
  参考文献：
  名称：

  Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane

  摘要：

  Cis-[MLCl2] complexes of di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane ligand (L), where M = Pd (1), and M = Pt (2) have been synthesized. Reaction of 1 with L in presence of Na[BF4] and hot acetonitrile produced the complex [PdL2](BF4)(2) (3). Complexes 1-3 and ligand L have been characterized by elemental analyses, IR and NMR spectroscopy. Crystal structures of 1, 3 and L were determined by single crystal X-ray diffraction analyses, showing nonplanar structures with the pyridinic rings twisted around the bridging carbon and the ipso carbon bonds. 1 and 3 displayed a bidentate coordination of L to the palladium atom with the formation of six-membered chelate rings, where the local geometry at palladium atom was distorted square planar. In 3 the palladium atom was coordinated to two dipyridyl ligands through two of the pyridinic nitrogen atoms to form a cationic complex stabilized by two tetrafluoroborate counter-ions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.028
• 作为产物：
  描述：

  2-巯基嘧啶 、 2,2'-(chloromethylene)dipyridine 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 25.0h， 以80%的产率得到di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane
  参考文献：
  名称：

  Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane

  摘要：

  Cis-[MLCl2] complexes of di-(2-pyridyl)pyrimidin-2-ylsulfanylmethane ligand (L), where M = Pd (1), and M = Pt (2) have been synthesized. Reaction of 1 with L in presence of Na[BF4] and hot acetonitrile produced the complex [PdL2](BF4)(2) (3). Complexes 1-3 and ligand L have been characterized by elemental analyses, IR and NMR spectroscopy. Crystal structures of 1, 3 and L were determined by single crystal X-ray diffraction analyses, showing nonplanar structures with the pyridinic rings twisted around the bridging carbon and the ipso carbon bonds. 1 and 3 displayed a bidentate coordination of L to the palladium atom with the formation of six-membered chelate rings, where the local geometry at palladium atom was distorted square planar. In 3 the palladium atom was coordinated to two dipyridyl ligands through two of the pyridinic nitrogen atoms to form a cationic complex stabilized by two tetrafluoroborate counter-ions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.028