[Et2SnCl2(5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine)2] | 879492-80-5

• 英文名称: [Et2SnCl2(5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine)2]
• 英文别名: [Et2SnCl2(dmtp)2]
• CAS: 879492-80-5
• 化学式: C₁₈H₂₆Cl₂N₈Sn
• 分子量: 544.074
• InChiKey: NCELIPYOAWGYJF-UHFFFAOYSA-L

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：

  5,7-二甲基-1,3,4-三氮吲哚利嗪 、 二乙基二氯化锡 以 乙醚 为溶剂， 生成 [Et2SnCl2(5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine)2]
  参考文献：
  名称：

  Synthesis, spectroscopic characterization and in vitro antimicrobial activity of diorganotin(IV) dichloride adducts with [1,2,4]triazolo-[1,5-a]pyrimidine and 5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine

  摘要：

  The heterocyclic ligands [1,2,4]triazolo-[1,5-a]pyrimidine (tp) and 5,7-dimethyl-[1,2,4]triazolo-[1,5-a]pyrimidine (dmtp), react with diorganotin dichlorides giving the addition compounds Me2SnCl2(tp)(2), Et2SnCl2(tp)(2), Me2SnCl2(dmtp)(2), Et2SnCl2(dmtp)(2), Bu2SnCl2(dmtp), Ph2SnCl2(dmtp). The organotin:ligand stoichiometry goes from 1:2 to 1:1 by increasing the steric hindrance of the organic groups bound to tin. The compounds have been characterized by means of infrared, Sn-119 Mossbauer and H-1 AND C-13 NMR spectroscopy.The ligands presumably coordinate to tin classically through the nitrogen atom at the position 3. The 1:1 complexes adopt trigonal bipyramidal structures, with the organic groups on the equatorial plane and the ligand in the apical position. All-trails octahedral structures are inferred for the 1:2 complexes, except for Et2SnCl2(tp)(2), characterized by a skew-trapezoidal structure.Sn-119 Mossbauer measurements, at room temperature, in concomitance with DFT calculations, performed on isomeric structures of R2SnCl2(tp)(2) (R = Me, Et), allowed us to conclude that the all-trans octahedral coordination induces self-assembly in the solid state, possibly accomplished through pi-pi stacking interactions among the planar ligands coordinated to the organotin(IV) compound, while the skew-trapezoidal structure attributed to Et2SnCl2(tp)(2), induces the formation of monomeric adducts in the solid state.In vitro antimicrobial tests showed that [n-Bu2SnCl2(dmtp)] has interesting properties as anti Gram-positive and antibiofilm agent. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.10.007