| 1412501-13-3

• 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
• CAS: 1412501-13-3
• 化学式: C₂₀H₂₇CoN₉S₂
• 分子量: 516.62
• InChiKey: SMDPJPFAAGDGDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  硫氰酸铵 、 甲醇 、 oxovanadium(IV) sulfate 、 3,5-二甲基吡唑-1-甲醇 、 钴 、 甲苯 在 air 作用下， 反应 5.0h， 以18.9%的产率得到
  参考文献：
  名称：

  Cobalt(II) scorpionate-like complexes obtained from in situ synthesized ligand created in [Co(0)–1-hydroxymethyl-3,5-dimethylpyrazole–VOSO4–NH4SCN] system

  摘要：

  Novel cationic-anionic {[Co-II(NCS)L-S vertical bar(n+)[X](n-)} X = [V6O11(CH3O)(8)](2-), [Co-II(NCS)(4)](2-) (1 and 2) and neutral [Co-II(NCS)(2)L-S] (3) complexes have been isolated in one pot synthesis from [Co-0-L-VOSO4-NH4SCN] (L = 1-hydroxymethyl-3,5-dimethylpyrazole) system. The anion [(V2V4O11)-V-IV-O-V(CH3O)(8)](2-) was found to be a new mixed valence Lindqvist type cluster. The redox reactions resulted in atypical compositions and structures of the products as well as in an in situ formation of tris(3,5-dimethylpyrazolylmethyl)amine (L-S), which is a scorpionate-type ligand. The coordination numbers of cobalt(II) in the species were found to be five (1), five and four (2) and six (3). The compounds were characterized by analytical, spectroscopic (FT-IR and UV-Vis) and X-ray methods. For the complex containing two different transition metals (1) and that with one transition metal but in two different geometrical environments (2), the digital filtration method applied made it possible to elucidate two independent crystal fields. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.021