tri(4-tolyl)boroxine, isoquinoline adduct | 171195-18-9

• 英文名称: tri(4-tolyl)boroxine, isoquinoline adduct
• CAS: 171195-18-9
• 化学式: C₃₀H₂₈B₃NO₃
• 分子量: 482.99
• InChiKey: CHIYUVBQOMFBDC-UHFFFAOYSA-N

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：

  异喹啉 、 4-甲基苯硼酸酐 以 乙醚 为溶剂， 以94%的产率得到tri(4-tolyl)boroxine, isoquinoline adduct
  参考文献：
  名称：

  Synthesis and characterization of amine adducts of tri(4-tolyl)boroxine and tri(3,5-xylyl)boroxine: molecular structure of (4-MeC6H4)3B3O3·cyclohexylamine

  摘要：

  19 1:1 adducts of the triarylboroxines (4-MeC(6)H(4))(3)B3O3 (PTB) and (3,5-Me(2)C(6)H(3))(3)B3O3 (MXB) With N-donor ligands (cyclohexylamine, 4-picoline, 3-picoline, piperidine, morpholine, isobutylamine, methylamine, dimethylamine, isoquinoline and benzylamine) have been prepared by reaction of stoichiometric quantities of ligand and triarylboroxine in Et(2)O at room temperature. All 19 adducts have been characterized by elemental analysis, M pt, IR and H-1 and C-13 NMR. C6H11 NH2 . PTB has been characterized in the solid state by a single-crystal X-ray diffraction study. Solid-state B-11 MAS NMR results for PTB and its adducts with cyclohexylamine and isoquinoline are reported. In solution-variable temperature H-1 NMR of the morpholine, cyclohexylamine, isoquinoline and benzylamine adducts of PTB and MXB indicate that a ligand dissociation-recombination process is occurring with Delta G(double dagger) of ca 43-49 kJ mol(-1).

  DOI：

  10.1016/0277-5387(95)00130-k