基于 - 癸硼阴离子的融合 1,2-二硼杂恶唑 - 硼杂杂环族的新型成员。
Fused 1,2-Diboraoxazoles Based on -Decaborate Anion-Novel Members of Diboroheterocycle Class.
机构信息
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991 Moscow, Russia.
Chemistry Department, Lomonosov Moscow State University, 119991 Moscow, Russia.
出版信息
Molecules. 2021 Jan 5;26(1):248. doi: 10.3390/molecules26010248.
The novel members of the 1,2-diboraoxazoles family have been obtained. In the present work, we have carried out the intramolecular ring-closure reaction of borylated iminols of general type [BHN=C(OH)R] (R = Me, Et, Pr, Pr, Bu, Ph, 4-Cl-Ph). This process is conducted in mild conditions with 83-87% yields. The solid-state structures of two salts of 1,2-diboraoxazoles were additionally investigated by X-ray crystallography. In addition, the phenomena of bonding interactions in the 1,2-diboraoxazole cycles have been theoretically studied by the Quantum Theory of Atoms in Molecules analysis. Several local and integral topological properties of the electron density involved in these interactions have been computed.
新型 1,2-二硼杂恶唑家族成员已被获得。在本工作中，我们进行了通式 [BHN=C(OH)R]（R = Me、Et、Pr、iPr、Bu、Ph、4-Cl-Ph）的硼化亚胺醇的分子内环合反应，产率为 83-87%。通过 X 射线晶体学进一步研究了两种 1,2-二硼杂恶唑盐的固态结构。此外，通过分子中的原子量子理论分析对 1,2-二硼杂恶唑环中的键相互作用现象进行了理论研究。计算了这些相互作用中涉及的电子密度的几个局部和整体拓扑性质。
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