(tris(2,6-dimethoxyphenyl)methyl)tin trifluoride | 148461-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (tris(2,6-dimethoxyphenyl)methyl)tin trifluoride
• 英文别名: trifluoro-[tris(2,6-dimethoxyphenyl)methyl]stannane
• CAS: 148461-54-5
• 化学式: C₂₅H₂₇F₃O₆Sn
• 分子量: 599.191
• InChiKey: BDOAMJRGVOYDMT-UHFFFAOYSA-K

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：

  stannous fluoride 、 2,2',2'',6,6',6''-hexamethoxytriphenylmethanol 以 硫酸 为溶剂， 以59%的产率得到(tris(2,6-dimethoxyphenyl)methyl)tin trifluoride
  参考文献：
  名称：

  （三（2,6-二甲氧基苯基）甲基）锡三卤化物的结构和内部动力学的相关性：七配位锡化合物的同源系列

  摘要：

  Reaction of tris(2,6-dimethoxyphenyl)methyl cation and the stannous halides produced a series of SnX3 (1, X = F; 2, X = Cl; 3, X = Br; 4, X = I) derivatives of the triarylmethyl. These species constitute a homologous series of heptacoordinate tin compounds. Crystals of 1 are monoclinic, space group P2(1)/c: a = 9.8087(5) angstrom, b = 16.081(3) angstrom, c = 15.864(2) angstrom, beta = 106.120(6)-degrees, Z = 4. Crystals of 2 are orthorhombic, space group P2(1)2(1)2(1), a = 11.622(2) angstrom, b = 15.192(2) angstrom, c = 33.379(3) angstrom, Z = 8. The asymmetric unit contains two independent, heterochiral molecules and one molecule of diethyl ether. Crystals of 3 are triclinic, space group P1BAR: a = 10.049(l) angstrom, b = 10.7709(9) angstrom, c = 14.996(3) angstrom, a = 93.18(l)-degrees, beta = 104.77(l)-degrees, gamma = 116.263(9)-degrees, Z = 2. The tin atoms are covalently bound to three halogens and the central carbon of the triarylmethyl unit; their association with the three near methoxy groups raises their coordination number to seven. Methoxy group site exchange barriers were determined for 1-4 by variable temperature NMR spectroscopy and/or by the saturation spin transfer method: AG*: 1, 83 kJ mol-1; 2, 71 kJ mol-1; 3, 65/64 kJ mol-1 (both methods); 4, 59 kJ mol-1. Since aryl ring rotation requires concomitant Sn-0 bond breaking, the activation energies serve to measure the relative strengths of the Sn ligation by the ether oxygens. The trend observed (F > Cl > Br > I) correlates well with progressive molecular structure changes among 1, 2, and 3 and with expectations from the relative Lewis acidities of the tin halides. The order of the Sn-119 NMR chemical shifts for 2-4 also conforms to expectations based on halide electronegativity, but shows a strong leveling effect which is attributed to coordination by the ether tripods.

  DOI：

  10.1021/om00030a044