cis-[CoCl2(2-C5H4N-CO2Pr(i))2] | 560130-45-2

• 英文名称: cis-[CoCl2(2-C5H4N-CO2Pr(i))2]
• CAS: 560130-45-2
• 化学式: C₁₈H₂₂Cl₂CoN₂O₄
• 分子量: 460.283
• InChiKey: CQUXGRWUAGINEG-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  cis-[CoCl2(2-C5H4N-CO2Pr(i))2] 、 sodium azide 以 水 为溶剂， 以68%的产率得到[Co(N3)2(2-C5H4N-CO2Pr(i))2]
  参考文献：
  名称：

  Substitution of the chloro ligands in cis-[CoCl2(2-C5H4NCO2Pri)2]: structural characterization of four mononuclear products showing both cis and trans configurations at Co(II)

  摘要：

  Cobalt(H) complexes obtained by the reaction of cis-[CoCl2(2-C5H4N-CO2Pri)(2)] (1) with aqueous solutions of simple alkali metal salts have been prepared and characterized. While the reaction of 1 with KPF6 affords both trans-[Co(2-C5H4N-CO2Pri)(2)(H2O)(2)](PF6)(2).2(2-C5H4N-CO2Pri) (2) and trans -[Co(2-C5H4N-CO2Pri)(2)(H2O)(2)](PF6)(2) (3), that with NaBPh4 leads to trans -[Co(2-C5H4N-CO2Pri)(2)(H2O)(2)](BPh4)(2).2H(2)O (5) exclusively. X-ray diffraction data show that the mononuclear cationic units in 2, 3 and 5 share common structural features. The reaction of 1 with KSCN leads to cis-[Co(NCS)(2)(2-C5H4N-CO2Pri)(2)] (4), whose crystal structure shows that it consists of mononuclear discrete molecules. The analogous reaction with NaN3 yields the very slightly soluble complexes [Co(N-3)(2)(2-C5H4N-CO2Pri)] (7) and [CO2(N-3)(2-C5H4N-CO2Pri)(4)(H2O)].3H(2)O (8) and that with NaOAc results in the formation of the already known complex trans-[Co(2-C5H4N-CO2)(2)(H2O)(2)] (6) as the only product. Electronic UV-Vis and NIR spectral data for 2-5, 7 and 8 and the calculated magnetic moments from NMR measurements on 2-4 and 7 are indicative of high-spin octahedral Co(H) complexes, as already reported for I of known structure. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01374-9
• 作为产物：
  描述：

  2-pyridinecarboxylic acid i-propyl ester 、 cobalt(II) chloride 以 乙醇 为溶剂， 以80%的产率得到cis-[CoCl2(2-C5H4N-CO2Pr(i))2]
  参考文献：
  名称：

  带有吡啶甲酸衍生物的钴（II）配合物的合成，表征和磁性能：[Co（MeC 5 H 3 NCOO）2（H 2 O）2 ]和[CoCl 2（C 5 H 4 NCOOPr ）的晶体和分子结构我）2 ]

  摘要：

  Co（AcO）2与6-甲基-2-吡啶羧酸的反应，以及CoCl 2与2-吡啶羧酸的异丙酯的反应，金属与配体的摩尔比均为1：2，可提供最佳收率。的合成顺式- [CO（MEC 5 ħ 3 NCOO）2（H 2 O）2 ]和顺- [氯化钴2（C 5 H ^ 4 NCOOPr我）2]， 分别。根据X射线晶体学，它们均由在Co（II）周围具有八面体配位的单核离散分子组成。掺杂有0.25％Co（II）的相关Zn相的ESR粉末光谱显示出g和A张量的强各向异性。固体配合物的磁行为是Co（II）系统的特征，该系统具有重要的自旋轨道耦合和弱的反铁磁相互作用。电子UV-Vis和磁数据表明这些络合物以及已知的反式-[Co（C 5 H 4 NCOO）2（H 2 O）2 ]在溶液中具有高自旋八面体几何形状。

  DOI：

  10.1016/s0020-1693(03)00243-3