1,1,3,3,5,5,-hexakis(dimethylamino)-1,2-dihydro-3λ(5),5λ(5)-[1,3,5]triphosphinium-tetrafluoroborate | 303179-52-4

• 英文名称: 1,1,3,3,5,5,-hexakis(dimethylamino)-1,2-dihydro-3λ(5),5λ(5)-[1,3,5]triphosphinium-tetrafluoroborate
• 英文别名: 1,1,3,3,5,5,-Hexakis(dimethylamino)-1,2-dihydro-3λ(5),5λ(5)-[1,3,5]triphosphinium-tetrafluoroborat
• CAS: 303179-52-4
• 化学式: BF₄*C₁₅H₄₀N₆P₃
• 分子量: 484.249
• InChiKey: LOGGEKIWEWEKCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  四氟硼酸-二乙醚络合物 、 1,1,3,3,5,5-hexakis(dimethylamino)-1λ⁵,3λ⁵,5λ⁵-<1,3,5>triphospinine 以 乙醚 为溶剂， 以82.9%的产率得到1,1,3,3,5,5,-hexakis(dimethylamino)-1,2-dihydro-3λ(5),5λ(5)-[1,3,5]triphosphinium-tetrafluoroborate
  参考文献：
  名称：

  Protonierung des 1,1,3,3,5,5-Hexakis(dimethylamino)λ5-[1,3,5]triphosphinins. Cyclotrimethylentriphosphinsäure. NMR-Daten, Kristallstrukturen und quantenchemische Rechnungen

  摘要：

  Preparation of 1,1,3,3,5,5-hexakis(dimethylamino)-1,2-dihydro-3 lambda(5),5 lambda(5)-[1,3,5]triphosphininium-tetrafluoroborate (3) und 1,1,3,3,5,5-hexakis(dimethylamino)-lambda(5)-[1,3,5]triphssphinanetriium-tris(tetrafluoroborate) (4) from 1,1,3,3,5,5-hexakis(dimethylamino)-1 lambda(5),3 lambda(5),5 lambda(5)-triphosphinine 1 and HBF4. O(C2H5)(2) are described. The structures of 3 und 4 are elucidated by n.m.r. and X-ray structural analyses. By hydrolysis of 4 with conc. hydrochloric acid 1,3,5-trioxo-1 lambda(5),3 lambda(5),5 lambda(5)-[1,3,5]triphosphinane-1,3,5-triol (cyclotrimethylene-triphosphinic acid) (8) is formed. Neutralisation with NaOH yields its sodium salt 9. 8 and 9 are characterized by their n.m.r. spectra. Quantum chemical calculations have been investigated for the compounds 1'-4' and the trianion 9. The systems 1'-4' are distinguished from 1-4 by the size of the ligands at phosphorus which is reduced from N(CH3)(2) to NH2, respectively. The aims of the calculations are to elucidate hybridisations and molecular structures, Lewis or resonance structures, electronic charge distributions and NMR chemical shifts.

  DOI：

  10.1002/1521-3749(200009)626:9<1974::aid-zaac1974>3.0.co;2-8