bis{8-(dimethylamino)-1-naphthyl}benzyltin bromide | 138921-89-8

• 英文名称: bis{8-(dimethylamino)-1-naphthyl}benzyltin bromide
• CAS: 138921-89-8
• 化学式: C₃₁H₃₁BrN₂Sn
• 分子量: 630.215
• InChiKey: OERUYXJQYRTFLB-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：

  bis{8-(dimethylamino)-1-naphthyl-C,N}tin(II) 、 溴甲苯 以 苯 为溶剂， 以>99的产率得到bis{8-(dimethylamino)-1-naphthyl}benzyltin bromide
  参考文献：
  名称：

  Evidence for hexacoordinate tin centers in triorganotin halides containing two 8-(dimethylamino)-1-naphthyl ligands

  摘要：

  A series of novel triorganotin halides, SnX[1-C10H6NMe2-8]2R, containing two potentially intramolecular-coordinating 8-(dimethylamino)-1-naphthyl groups has been synthesized and characterized. The compounds were prepared via oxidative addition of an alkyl halide RX (R = Me, X = I; R = Et, X = I; R = benzyl, X = Br) to bis[8-(dimethylamino)-1-naphthyl]tin(II). From one of these compounds (R = Me, X = I) the molecular structure in the solid state has been determined by X-ray diffraction methods: C25H27IN2Sn, orthorhombic, space group Pbca with a = 19.212 (3) angstrom, b = 25.540 (8) angstrom, c = 9.482 (1) angstrom, and Z = 8, final R = 0.052 for 1798 observed reflections. The tin center has a distorted-octahedral coordination geometry with mutual trans positions of the two C(1)naphthyl atoms, one of the coordinating nitrogen atoms and the iodine atom, and the other coordinating nitrogen atom and the methyl group at tin. The length of the Sn-N bond trans to the iodine atom is in the normal range as expected for a Sn-N coordination bond (2.53 (1) angstrom) while the Sn-N bond trans to the methyl group is extremely long (3.10 (1) angstrom). H-1, C-13, and Sn-119 NMR spectra of these triorganotin halides show that, at low temperature in solution, these compounds exist in two geometrically different forms, one as found in the solid state and one with the two C(1)naphthyl atoms, the two coordinating nitrogen atoms, and the methyl group at tin and the iodine atom in cis position. At higher temperatures a process involving interconversion between these two isomers becomes fast on the NMR time scale.

  DOI：

  10.1021/om00040a023