dichlorocobalt;2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,18,20-hexaene-12,17-dione | 180140-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: dichlorocobalt;2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,18,20-hexaene-12,17-dione
• CAS: 180140-93-6
• 化学式: C₁₈H₂₀Cl₂CoN₄O₂
• 分子量: 454.282
• InChiKey: ROSVVUQTFNJKGD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 2-氨基-N-[2-[(2-氨基苯甲酰基)氨基]乙基]苯甲酰胺 、 1,2-二溴乙烷 以 甲醇 为溶剂， 以68%的产率得到dichlorocobalt;2,5,13,16-tetrazatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,18,20-hexaene-12,17-dione
  参考文献：
  名称：

  Cobalt(II), Nickel(II), Copper(II) and Zinc(II) Complexes of 14 to 16-Membered Tetraazamacrocycles Bearing Diamide Groups Synthesis and Characterization

  摘要：

  A new series of 14 to 16-membered tetraazamacrocyclic complexes bearing diamide groups have been prepared by the condensation reaction of o-aminobenzoic acid with 1,2-diaminoethane or 1,3-diaminopropane followed by the addition of 1,2-dibromoethane or 1,3-dibromopropane in presence of the complexes have been proposed by IR, H-1 NMR, EPR and electronic spectral studies, conductivity and magnetic susceptibility measurements. Except for the copper complex which is square planar, all other complexes exhibit octahedral geometry with the tetramine occupying the equatorial sites and both anions occupying the axial positions.

  DOI：

  10.1080/00945719608004350