tri-n-butyltin(1-phenyl-5-mercaptotetrazole) | 133467-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tri-n-butyltin(1-phenyl-5-mercaptotetrazole)
• 英文别名: 1-Phenyl-4-(tributylstannyl)-1,4-dihydro-5H-tetrazole-5-thione；1-phenyl-4-tributylstannyltetrazole-5-thione
• CAS: 133467-40-0
• 化学式: C₁₉H₃₂N₄SSn
• 分子量: 467.266
• InChiKey: DNITVTYMNOBSOV-UHFFFAOYSA-M

物化性质

• 沸点：
  500.5±33.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.99
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  63.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苯基-5-巯基四氮唑 、 三丁基氧化锡 以 甲苯 为溶剂， 以80%的产率得到tri-n-butyltin(1-phenyl-5-mercaptotetrazole)
  参考文献：
  名称：

  Thunecke, Frank; Schulze, Dirk; Borsdorf, Rolf, Zeitschrift fur Chemie, 1990, vol. 30, p. 444 - 445

  摘要：

  DOI：

文献信息

• Organotin mediated cycloaddition reactions: a re-investigation of the reaction between organotin azides and isothiocyanates
  作者：Robert J. Deeth、Kieran C. Molloy、Mary F. Mahon、Sophie Whittaker

  DOI：10.1016/0022-328x(92)80092-c

  日期：1992.6

  Organotin derivatives of 1-organo-5-thiotetrazole (RN4CS) have been synthesised by two methods: (i) a cycloaddition reaction between Bu3SnN3 and RNCS, and (ii) reaction between the sodium salt of the preformed tetrazole and an organotin halide. The structure of Bu2Sn(SCN4Ph)2 has been determined, and the ligand shown to be in the thio form, attached to tin through sulphur, rather than through nitrogen as previously reported. An analysis of the azide-isothiocyanide cycloaddition reaction based upon molecular orbital calculations is presented.