5-(prop-1-enyl)-2-(tributylstannyl)tetrazole | 157843-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(prop-1-enyl)-2-(tributylstannyl)tetrazole
• CAS: 157843-34-0
• 化学式: C₁₆H₃₂N₄Sn
• 分子量: 399.167
• InChiKey: DDNQSFKCEFBNQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  418.8±28.0 °C(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-丁烯腈 、 三正丁基叠氮化锡 以 neat (no solvent) 为溶剂， 以45%的产率得到5-(prop-1-enyl)-2-(tributylstannyl)tetrazole
  参考文献：
  名称：

  C-, N- and C,N-organostannyl tetrazoles: synthesis, characterisation and reactivity

  摘要：

  Open-chain C,N-organostannyl tetrazoles, R2R'Sn(CH2)nCN4SnBu3 (n = 2 or 3, R2R' = Ph3; n = 2, R2R' = Bu2Ph), have been synthesised by a [3 + 2] cycloaddition reaction between R3Sn(CH2)nCN and SnBu3(N3). Prolonged heating of the reaction mixture yields the novel bicyclic species C,N-R2Sn(CH2)nCN4 (n = 2 or 3, R = Ph; n = 2, R = Bu). The reaction chemistry of both classes of compound has been studied, along with a reinvestigation of the parent 5-organo(N-triorganostannyl)tetrazoles RCN4SnR'3, by C-13 and Sn-119 NMR spectroscopy. The crystal structure of 2,2-diphenyl-1,7,8,9-tetraaza-2-stannabicyclo[4.3.0]nona-6,8-diene has also been determined.

  DOI：

  10.1039/dt9940002135