5-methyl-2-thienyl di-(n-butyl)tin chloride | 123431-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5-methyl-2-thienyl di-(n-butyl)tin chloride
• 英文别名: dibutyl-chloro-(5-methylthiophen-2-yl)stannane
• CAS: 123431-13-0
• 化学式: C₁₃H₂₃ClSSn
• 分子量: 365.555
• InChiKey: TYKGNUJGVMAYEP-UHFFFAOYSA-M

物化性质

• 沸点：
  348.6±44.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  16.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-溴-5-甲基噻吩 、 Di-n-butyl-Zinn-chlorid-acetat 、 magnesium 以 乙醚 为溶剂， 以30%的产率得到5-methyl-2-thienyl di-(n-butyl)tin chloride
  参考文献：
  名称：

  Synthesis and spectroscopic studies of thienyl triorganotin(IV) compounds. Crystal structures of [2-(4,4-dimethyl-2-oxazolinyl)-3-thienyl]dimethyltin N,N-dimethyldithiocarbamate and [2-(4,4-dimethyl-2-oxazolinyl)-3-thienyl]diphenyltin chloride

  摘要：

  Two series of stannylated thiophenes of formula (Z-C4H2S)SnR2X (Z = 3-(2-pyridyl) and 2-(4,4-dimethyl-2-oxazolinyl); R = Me, (n)Bu, Ph, p-tolyl and (c)Hex; X = Cl, Br, I, OH, SC(S)NMe2 and 8-quinolinolyl) have been prepared and their structures established by Sn-119m Mossbauer and NMR (C-13 and Sn-119) spectral analyses. A pronounced C,N-chelate bonding mode is inferred for the 3-(2-pyridyl)-2-thienyl ligand in the first series, the tin atoms thus being essentially five-coordinate with trans-C3SnNX trigonal bipyramidal geometries. Crystal structure determinations on two products in the second series, namely [2-(4,4-dimethyl-2-oxazolinyl)-3-thienyl]dimethyltin N,N-dimethyldithiocarbamate (1) and [2-(4,4-dimethyl-2-oxazolinyl)-3-thienyl]diphenyltin chloride (2), confirmed the spectroscopic indications of pentacoordinate trigonal bipyramidal tin environments and revealed that the oxazolinyl nitrogen is the intramolecularly coordinated donor atom in each case and is located in an apical position with respect to the C3Sn trigonal girdle; the Sn-N bond length in 2 (2.580(8); 2.525(7) angstrom) is relatively shorter than in 1 (2.720(3) angstrom). The apical angle for 1 (162.12(7)-degrees) shows the molecule to be more distorted than 2 (168.4(2) and 169.9(2)-degrees).

  DOI：

  10.1016/0022-328x(92)86003-m