phenyl-di-[2]pyridyl-phosphine sulfide | 165612-56-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: phenyl-di-[2]pyridyl-phosphine sulfide
• 英文别名: Phenyl-di-[2]pyridyl-phosphinsulfid；2,2'-(Phenylphosphorothioyl)dipyridine；phenyl-dipyridin-2-yl-sulfanylidene-λ5-phosphane
• CAS: 165612-56-6
• 化学式: C₁₆H₁₃N₂PS
• 分子量: 296.332
• InChiKey: SZSBAXVQGWVGEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1,5-cyclooctadiene)bis(3,5-dichloro-2,4,6-trifluorobenzene)palladium(II) 、 phenyl-di-[2]pyridyl-phosphine sulfide 以 二氯甲烷 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Casares, Juan A.; Espinet, Pablo, Inorganic Chemistry, 1997, vol. 36, # 24, p. 5428 - 5431

  摘要：

  DOI：
• 作为产物：
  描述：

  (pyridin-2-yl)magnesium bromide 在 乙醚 、 氮气 、 sulfur 、 苯 作用下， 生成 phenyl-di-[2]pyridyl-phosphine sulfide
  参考文献：
  名称：

  CONDITIONS OF SALT FORMATION IN POLYAMINES AND KINDRED COMPOUNDS. SALT FORMATION IN THE TERTIARY 2-PYRIDYLAMINES, PHOSPHINES AND ARSINES

  摘要：

  DOI：

  10.1021/jo01162a007

文献信息

• Observation of a Slow Dissociative Process in Palladium(II) Complexes
  作者：Juan A. Casares、Silverio Coco、Pablo Espinet、Yong-Shou Lin

  DOI：10.1021/om00006a055

  日期：1995.6

  The dynamic behavior of complexes [Pd(C6F5)X(SPPy(n)Ph(3-n))] (Py = pyridin-2-yl; X = Br, n = 1 (1), 3 (3); n = 2, X = Cl (2a), Br (2b), I (2c)) has been studied by NMR spectroscopy. Complex 1 has a S,N-chelating ligand and shows no isomers. Complexes 2 show two isomers, N,N- and N,S-bonded, the latter being dominant (>95%). Rotation of the C6F5 group in the N,S-isomers in CDCl3 occurs slowly with Delta H double dagger (kJ mol(-1)) = 60.0 (2a), 57.1 (2b), 50.2 (2c) and Delta S double dagger (J K-1 mol(-1)) = -35.8 (2a), -37.5 (2b), -51.1 (2c). Evidence strongly supports that this rotation is severely hindered in a square-planar complex and occurs in a contact ion pair [Pd(C6F5)(SPPy(2)Ph-N,S)]. X formed by halide dissociation. Complex 3 shows also two isomers, and its N,N-isomer shows apparent C6F5 rotation corresponding in reality to exchange of the Py group trans to the Pd-C bond and the uncoordinated Py group. The structure of [Pd(C6F5)Br(SPPy(2)Ph-N,S)] has been studied by X-ray diffraction: P2(1)/c, a = 8.273(2) Angstrom, b = 14.240(2) Angstrom, c = 19.547(4) Angstrom, beta = 95.10(2)degrees, V = 2293.6(7) Angstrom(3), Z = 4.
• Casares, Juan A.; Espinet, Pablo; Hernando, Rosa, Inorganic Chemistry, 1997, vol. 36, # 1, p. 44 - 49
  作者：Casares, Juan A.、Espinet, Pablo、Hernando, Rosa、Iturbe, Gonzalo、Villafane, Fernando、Ellis, Dianne D.、Guy Orpen

  DOI：——

  日期：——
• CONDITIONS OF SALT FORMATION IN POLYAMINES AND KINDRED COMPOUNDS. SALT FORMATION IN THE TERTIARY 2-PYRIDYLAMINES, PHOSPHINES AND ARSINES
  作者：FREDERICK GEORGE MANN、JAMES WATSON

  DOI：10.1021/jo01162a007

  日期：1948.7
• Casares, Juan A.; Espinet, Pablo, Inorganic Chemistry, 1997, vol. 36, # 24, p. 5428 - 5431
  作者：Casares, Juan A.、Espinet, Pablo

  DOI：——

  日期：——