| 163232-71-1

• CAS: 163232-71-1
• 化学式: C₈H₁₁BrN₂SZn
• 分子量: 312.549
• InChiKey: RFFDPRBXCDPXKD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.28
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  24.92
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-(吡啶-2-基甲基氨基)乙硫醇 、 zinc dibromide 在 NaOH 作用下， 以 甲醇 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  A New Tridentate N,N,S Ligand and Its Zinc Complexes

  摘要：

  The tridentate thiol ligand N-(2-mercaptoethyl)picolylamine (MEPAH) which is obtained from picolylamine and ethylene sulfide shows a very variable zinc complex chemistry. With zinc salts of noncoordinating anions it forms the trinuclear complexes [(MEPA)(4)Zn-3]X(2) (1a-c: X = BF4, ClO4, NO3). With zinc halides it produces the polymeric 1:1 complexes (MEPA)ZnHal (2a,b: Hal = Cl, Br), and with zinc acetate the dimeric 1:1 complex (MEPA)ZnOAc (3) results. The 2:1 complex (MEPA)(2)Zn (4) is obtained by the reaction with Zn[N(SiMe(3))(2)](2). The mixed-ligand complex (MEPA)Zn(2-(hydroxymethyl)benzenethiolate (5) results from Zn[N(SiMe(3))(2)](2). MEPAH, and the thiol, and the mixed-ligand complex (MEPA)Zn(quinoline-2-carboxylate) (6) is formed from Zn(ClO4)(2), MEPAH, and the acid. Crystal structure determinations have revealed one tetrahedral ZnS4 and two octahedral ZnN4S2 units in 1a, trigonal-bipyramidal ZnN2S2Cl coordination in 2a, square-pyramidal ZnN2S2O coordination in 3, tetrahedral ZnN2S2 coordination in 4, and a trigonal-bipyramidal arrangement of the two chelate ligands in 6 yielding a ZnN3SO coordination. The unusual bonding situation (only bidentate) of the MEPA ligand in the 2:1 complex 4 results in the facile conversion of 4 to the trinuclear complexes 1a-c upon reaction with the zinc salts and to the polymeric complex 2a upon reaction with CH2Cl2 or HCl.

  DOI：

  10.1021/ic00116a022