5-[2-(chlorodiphenylstannyl)ethyl]tetrazole | 157843-30-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[2-(chlorodiphenylstannyl)ethyl]tetrazole
• CAS: 157843-30-6
• 化学式: C₁₅H₁₅ClN₄Sn
• 分子量: 405.474
• InChiKey: UYTCRNPIDROQJY-UHFFFAOYSA-M

物化性质

• 沸点：
  488.1±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.74
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-[2-(chlorodiphenylstannyl)ethyl]tetrazole 、 sodium N,N-diethyldithiocarbamate 以 四氢呋喃 、 氯仿 为溶剂， 以29%的产率得到5-(2-[(diethyldithiocarbamato)diphenylstannyl]ethyl)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
• 作为产物：
  描述：

  3-triphenylstannyl-propionitrile 以 甲醇 为溶剂， 生成 5-[2-(chlorodiphenylstannyl)ethyl]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