[Pb(OAc)(H2NCSC3N2O(CH3)2)] | 953794-24-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Pb(OAc)(H2NCSC3N2O(CH3)2)]
• CAS: 953794-24-6
• 化学式: C₂H₃O₂*C₆H₈N₃OS*Pb
• 分子量: 436.46
• InChiKey: DBVSUADZDUXXLK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.11
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  102.25
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  ethyl 2-methylacetoacetate thiosemicarbazone 、 silver(I) acetate 、 二苯基氯化铅 以 甲醇 为溶剂， 生成 [Pb(OAc)(H2NCSC3N2O(CH3)2)] 、 [Ph2Pb(H2NCSC3N2O(CH3)2)2]*H2O
  参考文献：
  名称：

  Diphenyllead(IV) thiosemicarbazonates and pyrazolonates: Synthesis and characterization

  摘要：

  Cyclization of thiosemicarbazones derived from beta-keto esters and beta-keto amides (HTSC) in the presence of diphenyllead(IV) acetate was explored in methanol solution at room temperature and under reflux. All beta-keto ester TSCs underwent cyclization to give the corresponding pyrazolone (HL), which, except in one case, deprotonated and coordinated the PbPh22+ moiety to form homoleptic [PbPh2(L)(2)] or heteroleptic [PbPh2(OAc)(L)] derivatives. Cyclization did not occur with beta-keto amide TSCs and only [Pbph(2)(TSC)(2)] or [PbPh2(OAc)(TSC)] thiosernicarbazonates were isolated. The complexes were characterized by IR spectroscopy in the solid state and by H-1, C-13 and Pb-207 NMR spectroscopy in DMSO-d(G) solution, in which they evolve and decompose with time. Additionally, crystals of p-acetoacetanisidide thiosemicarbazone (HTSC10), [PbPh2(OAc)(L-5)] center dot MeOH (HL5 = 2,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazolone-1-carbothioamide), [PbPh2Cl(L-2)] (HL2 = 2,5-dihydro-5-oxo-3-phenyl-1H-pyrazolone-1-carbothioamide), [PbPh2(OAc)(TSC8)]center dot 2MeOH (HTSC8 = acetoacetanilide thiosemicarbazone), [PbPh2(OAc)(TSC10)]center dot H2O and [PbPh2(OAc)(TSC11)] center dot 0.75MeOH (HTSO11 = o-acetoacetotoluidide) were studied by X-ray crystallography. The complexes, monomers or dimers with almost linear C-Pb-C moieties, are compared with the corresponding derivatives of Pb(II). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.01.004