SnCl4*2(2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate) | 1031378-93-4

• 英文名称: SnCl4*2(2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate)
• CAS: 1031378-93-4；1030834-03-7
• 化学式: C₂₀H₄₄Cl₄F₆N₄O₄P₂Sn
• 分子量: 841.054
• InChiKey: SWILDLGXFKPJSS-UHFFFAOYSA-J

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：

  四氯化锡 、 2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate 以 氯仿 为溶剂， 以78%的产率得到SnCl4*2(2,2,2-trifluoroethyl N,N,N',N'-tetraethylphosphorodiamidate)
  参考文献：
  名称：

  Synthesis, spectroscopic and structural studies of 2,2,2-trifluoroethyl phosphorodiamidate complexes with tin(IV) chloride

  摘要：

  The two octahedral complexes SnCl4 center dot 2(O)P(NR2)(2)OCH2CF3 (R = Me (1) or Et (2)) have been prepared from SnCl4 and the ligands (R2N)(2)P(O)OCH2CF3 in chloroform solution. Both adducts have been characterised by (P-31 and Sn-119) NMR, IR spectroscopy and elemental analysis. The NMR data show that the complexes exist as mixtures of cis and trans isomers in solution with the latter isomer being the predominant species. The structure of I has been determined by X-ray crystallography. Accordingly, the structure is centrosymmetric and the two ligands are bound trans to each other in the octahedral tin complex. DFT/B3LYP calculations show that trans configuration does indeed lead to the lowest energy species. Comparison of the structural, NMR and theoretical data of both complexes with those related to SnCl4 center dot 2L (L = (Me2N)(3)P(O) and (Me2N)(2)P(O)F) further supports the important effects of the nature of the substituents in the ligand on the stereochemistry of the complex formed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.02.009