4,5-bis[(tributylstannylmethyl)thiolato]-1,3-dithiole-2-thione | 1001648-62-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: 4,5-bis[(tributylstannylmethyl)thiolato]-1,3-dithiole-2-thione
• CAS: 1001648-62-9
• 化学式: C₂₉H₅₈S₅Sn₂
• 分子量: 804.53
• InChiKey: ZIFODVBPQZCFRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三丁基(碘甲基)锡烷 、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 丙酮 为溶剂， 以47%的产率得到4,5-bis[(tributylstannylmethyl)thiolato]-1,3-dithiole-2-thione
  参考文献：
  名称：

  Studies of distannylated-1,2-dithiolato compounds: Synthesis of 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-thiones, (R3SnCH2)2(dmit), and 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-ones, (R3SnCH2)2(dmio) – Crystal structures of (Ph3SnCH2)2(dmit) and (Ph3SnCH2)2(dmio)

  摘要：

  The syntheses of 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-thione, (R3SnCH2)(2)(dmit) (5: R = Ph; 7: R-3 = MePh2; 8: R = Bu) and 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-one (6: Ph3SnCH2)(2)(dmio)], from the appropriate R3SnCH2I and [NEt4](2)[Zn(dmit)(2)] or [NEt4](2)[Zn(dmio)(2)] are reported. Characterisation of 5-8 were generally achieved by NMR and IR spectra and additionally for 5 and 6 by X-ray crystallography and mass spectrometry. Solution NMR data indicated four coordinate tin species, while the single crystal structure determinations for 5 and 6 indicated distorted tetrahedral geometries around the tin atoms with only very weak intermolecular interactions present, but none involve the tin atoms. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.09.008

文献信息

• Studies of distannylated-1,2-dithiolato compounds: Synthesis of 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-thiones, (R3SnCH2)2(dmit), and 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-ones, (R3SnCH2)2(dmio) – Crystal structures of (Ph3SnCH2)2(dmit) and (Ph3SnCH2)2(dmio)
  作者：Thomas C. Baddeley、Jairo Bordinhão、Nadia M. Comerlato、Laila de Castro Cortás、Glaucio B. Ferreira、R. Alan Howie、James L. Wardell

  DOI：10.1016/j.jorganchem.2007.09.008

  日期：2007.12

  The syntheses of 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-thione, (R3SnCH2)(2)(dmit) (5: R = Ph; 7: R-3 = MePh2; 8: R = Bu) and 4,5-bis[(triorganostannylmethyl)thiolato]-1,3-dithiole-2-one (6: Ph3SnCH2)(2)(dmio)], from the appropriate R3SnCH2I and [NEt4](2)[Zn(dmit)(2)] or [NEt4](2)[Zn(dmio)(2)] are reported. Characterisation of 5-8 were generally achieved by NMR and IR spectra and additionally for 5 and 6 by X-ray crystallography and mass spectrometry. Solution NMR data indicated four coordinate tin species, while the single crystal structure determinations for 5 and 6 indicated distorted tetrahedral geometries around the tin atoms with only very weak intermolecular interactions present, but none involve the tin atoms. (C) 2007 Elsevier B.V. All rights reserved.