trimethylstannyl 1'-(diphenylthiophosphoryl)-1-ferrocenecarboxylate | 1213267-09-4

• 英文名称: trimethylstannyl 1'-(diphenylthiophosphoryl)-1-ferrocenecarboxylate
• 英文别名: Ph2PSFcCOOSnMe3
• CAS: 1213267-09-4
• 化学式: C₂₆H₂₇FeO₂PSSn
• 分子量: 609.096
• InChiKey: FAXIRYZFXPNYDC-UHFFFAOYSA-M

计算性质

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

• 作为产物：
  描述：

  1'-(diphenylphosphino)-1-ferrocenecarboxylate 、 sulfur 以 甲苯 为溶剂， 以81%的产率得到trimethylstannyl 1'-(diphenylthiophosphoryl)-1-ferrocenecarboxylate
  参考文献：
  名称：

  Preparation and structural characterization of simple and donor-substituted triorganostannyl 1′-(diphenylphosphino)-1-ferrocenecarboxylates and their P-chalcogenide derivatives

  摘要：

  Triorganotin chlorides Me3SnCl and (L-NC)Me2SnCl (LNC = 2-[(dimethylamino)methyl]phenyl) reacted with potassium 1'-(diphenylphosphino)-1-ferrocenecarboxylate to give the respective carboxylates, Ph(2)PfcCO(2)SnMe(3) (1) and Ph(2)PfcCO(2)SnMe(2)(LNC) (2; fc = ferrocene-1,1'-diyl), while the analogous triphenylstannyl derivative 3 resulted by condensation of Ph3SnOH with 1'-(diphenylphosphino)-1-ferrocenecarboxylic acid (Hdpf). Compounds 1 and 2 were smoothly oxidized with hydrogen peroxide or elemental sulfur to afford the corresponding P-chalcogen derivatives (P-oxides 1a and 2a; P-sulfides 1b and 2b). All compounds were characterized by multinuclear NMR, IR and mass spectroscopy, and the solid-state structures of 1, 1a, 2, 2a and 2b were determined by single-crystal X-ray diffraction. In the crystal structures of 1 and 1a, the tin atoms were found with distorted trigonal bipyramidal coordination environments completed by the C=O or P=O oxygens, respectively, from adjacent molecules, which in turn resulted in the formation of infinite linear assemblies. Tin atoms in 2, 2a, and 2b were found with trigonal bipyramidal surrounding as well, though with the donor substituent LNC assuming one of the axial donor sites. Compounds 2 and 2a crystallized as stoichiometric hydrates (2.1/2H(2)O, 2a.H2O), in which the water molecules served as hydrogen bond donors for the polar groups (C=O and P=O) and thus aided the formation of closed H-bonded assemblies; the structure of 2b was essentially molecular. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.042