2,6-bis(((4'-chlorophenyl)thio)methyl)pyridine | 137058-22-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,6-bis(((4'-chlorophenyl)thio)methyl)pyridine
• 英文别名: 2,6-bis-(4-chlorophenylthiomethyl)pyridine；2,6-bis[(4-chlorophenyl)sulfanylmethyl]pyridine
• CAS: 137058-22-1
• 化学式: C₁₉H₁₅Cl₂NS₂
• 分子量: 392.373
• InChiKey: RREMAHOEJVFIRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.97
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-bis(((4'-chlorophenyl)thio)methyl)pyridine 在 KCN 作用下， 以 甲醇 为溶剂， 生成 {(2,6-bis(((4-chlorophenyl)thio)methyl)pyridine)}(CN)Cu(I)
  参考文献：
  名称：

  Teixidor, Francesc; Sánchez-Castelló, Gloria; Lucena, Nativitat, Inorganic Chemistry, 1991, vol. 30, # 26, p. 4931 - 4935

  摘要：

  DOI：

文献信息

• Ruthenium(II) Complexes with NS₂ Pyridine-Based Dithia-Containing Ligands. Proposed Possible Structural Isomers and X-ray Confirmation of Their Existence
  作者：Clara Viñas、Pilar Anglès、Glòria Sánchez、Natividad Lucena、Francesc Teixidor、Lluís Escriche、Jaume Casabó、Joan F. Piniella、Angel Alvarez-Larena、Raikko Kivekäs、Reijo Sillanpää

  DOI：10.1021/ic970829n

  日期：1998.2.23

  Ligands LX of the type NS2 with S-aryl and S-alkyl substituents which incorporate the unit 2,6-bis(thiomethyl)pyridine are produced. Their reaction with [RuCl2(PPh3)(3)] and [RuCl2(DMSO)(4)] produces the first reported Ru(II)/NS2 complexes. They present the general formulas [RuCl2(LX)L'], where L' = PPh3 or DMSO. Several isomers are possible; however, only two have been found in each reaction. The H-1 NMR spectra show that the HaHb proton atoms of the pyridine-CHaHb-thioether unit are nonisochronous. A Delta delta(HaHb) value close to 1 ppm is observed for the cis complexes while this is smaller for the trans analogues. The possible distinct isomers are discussed in terms of steric effects. It is hypothesized that the trans-dl, the trans-meso, and the cis-meso-E would be the structures more favored. Those structures have been confirmed by X-ray diffraction analysis of trans-dl-[RuCl2(LI)(DMSO)]. 0.5MeOH, cis-[RuCl2(LS)(PPh3)]. CH2Cl2, and trans-meso-[RuCl2(L6)(PPh3)]. 1.5MeOH.