bis(2-thienyl)phenyltin iodide | 143303-58-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: bis(2-thienyl)phenyltin iodide
• 英文别名: iodo-phenyl-dithiophen-2-ylstannane
• CAS: 143303-58-6
• 化学式: C₁₄H₁₁IS₂Sn
• 分子量: 488.988
• InChiKey: PMNHENBHJRNGEY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis(2-thienyl)phenyltin iodide 、 三苯胂氧化物 在 NaBPh₄ 作用下， 以 乙醇 为溶剂， 以69%的产率得到
  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
• 作为产物：
  描述：

  tris(2-thienyl)phenyltin 在 iodine 作用下， 以 乙醚 为溶剂， 以60%的产率得到bis(2-thienyl)phenyltin iodide
  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