{2-(4-pyridyl)ethyl}diphenyltin bromide | 147184-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: {2-(4-pyridyl)ethyl}diphenyltin bromide
• 英文别名: bromo-diphenyl-(2-pyridin-4-ylethyl)stannane
• CAS: 147184-99-4
• 化学式: C₁₉H₁₈BrNSn
• 分子量: 458.973
• InChiKey: CPFCGRFHFHEBQS-UHFFFAOYSA-M

物化性质

• 沸点：
  476.5±47.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  {2-(4-pyridyl)ethyl}diphenyltin bromide 、 sodium dimethyldithiocarbamate 以 乙醇 、 乙酸乙酯 为溶剂， 以66%的产率得到{2-(4-pyridyl)ethyl}(N,N-dimethyldithiocarbamato)diphenyltin
  参考文献：
  名称：

  [2-（2-吡啶基）乙基]-，[2-（4-吡啶基）乙基]-和[2-（2-氧代-N-吡咯烷基）乙基]三苯基锡（IV）的合成，表征和反应化学）

  摘要：

  The compounds Ph3SnR [R = (CH2)2C5H5N-2 (1), (CH2)2C5H5N-4 (2), and (CH2)2C3H6C(O)N-2 (3)] have been synthesized by hydrostannylation of 2- or 4-vinylpyridine and N-vinylpyrrolidin-2-one, respectively, with Ph3SnH. Reaction of 1-3 with 1 equiv of X2 (X = Br, I) gives Ph2RSnX, which have been used to synthesize representative compounds of general formula Ph2RSn(L), L = S2CNR'2 (R' = Me, Et) or O2CR' (R' = Me, Ph). The structures of the compounds are discussed on the basis of their H-1, C-13, Sn-119 NMR and Sn-119 Mossbauer data. The structure of Ph2Sn[(CH2)2C5H5N-2](S2CNMe2) has been determined by X-ray crystallography: C22H24N2S2Sn, fw 499.28, a = 9.611 (4) angstrom, b = 10.255 (3) angstrom, c = 12.896 (9) angstrom, a = 75.35 (4)-degrees, beta = 70.97 (4)-degrees, gamma = 68.09 (3)-degrees, V = 1102.2 angstrom3, Z = 2, space group P1BAR, rho(calc) = 1.50 g cm-3, mu(Mo Kalpha) = 12.42 cm-1, lambda(Mo Kalpha) = 0.710 69 angstrom, F(000) = 504, R = 0.0492, R(w) = 0.0542 for 2133 unique data. The tin is in a five-coordinate, trigonal bipyramidal trans-NSSnPh2R environment, with nitrogen and sulfur in the axial positions. The 2-ethylpyridyl ligand chelates the metal, while the dithiocarbamate is monodentate.

  DOI：

  10.1021/om00027a029
• 作为产物：
  描述：

  三苯基氢化锡 在 Br₂ 作用下， 以 四氯化碳 为溶剂， 生成 {2-(4-pyridyl)ethyl}diphenyltin bromide
  参考文献：
  名称：

  [2-（2-吡啶基）乙基]-，[2-（4-吡啶基）乙基]-和[2-（2-氧代-N-吡咯烷基）乙基]三苯基锡（IV）的合成，表征和反应化学）

  摘要：

  The compounds Ph3SnR [R = (CH2)2C5H5N-2 (1), (CH2)2C5H5N-4 (2), and (CH2)2C3H6C(O)N-2 (3)] have been synthesized by hydrostannylation of 2- or 4-vinylpyridine and N-vinylpyrrolidin-2-one, respectively, with Ph3SnH. Reaction of 1-3 with 1 equiv of X2 (X = Br, I) gives Ph2RSnX, which have been used to synthesize representative compounds of general formula Ph2RSn(L), L = S2CNR'2 (R' = Me, Et) or O2CR' (R' = Me, Ph). The structures of the compounds are discussed on the basis of their H-1, C-13, Sn-119 NMR and Sn-119 Mossbauer data. The structure of Ph2Sn[(CH2)2C5H5N-2](S2CNMe2) has been determined by X-ray crystallography: C22H24N2S2Sn, fw 499.28, a = 9.611 (4) angstrom, b = 10.255 (3) angstrom, c = 12.896 (9) angstrom, a = 75.35 (4)-degrees, beta = 70.97 (4)-degrees, gamma = 68.09 (3)-degrees, V = 1102.2 angstrom3, Z = 2, space group P1BAR, rho(calc) = 1.50 g cm-3, mu(Mo Kalpha) = 12.42 cm-1, lambda(Mo Kalpha) = 0.710 69 angstrom, F(000) = 504, R = 0.0492, R(w) = 0.0542 for 2133 unique data. The tin is in a five-coordinate, trigonal bipyramidal trans-NSSnPh2R environment, with nitrogen and sulfur in the axial positions. The 2-ethylpyridyl ligand chelates the metal, while the dithiocarbamate is monodentate.

  DOI：

  10.1021/om00027a029