Research output: Contribution to journal › Article › peer-review
Fused 1,2-Diboraoxazoles Based on closo-Decaborate Anion-Novel Members of Diboroheterocycle Class. / Voinova, Vera V.; Selivanov, Nikita A.; Plyushchenko, Ivan V.; Vokuev, Mikhail F.; Bykov, Alexander Yu; Klyukin, Ilya N.; Novikov, Alexander S.; Zhdanov, Andrey P.; Grigoriev, Mikhail S.; Rodin, Igor A.; Zhizhin, Konstantin Yu; Kuznetsov, Nikolay T.
In: Molecules (Basel, Switzerland), Vol. 26, No. 1, 248, 05.01.2021.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Fused 1,2-Diboraoxazoles Based on closo-Decaborate Anion-Novel Members of Diboroheterocycle Class
AU - Voinova, Vera V.
AU - Selivanov, Nikita A.
AU - Plyushchenko, Ivan V.
AU - Vokuev, Mikhail F.
AU - Bykov, Alexander Yu
AU - Klyukin, Ilya N.
AU - Novikov, Alexander S.
AU - Zhdanov, Andrey P.
AU - Grigoriev, Mikhail S.
AU - Rodin, Igor A.
AU - Zhizhin, Konstantin Yu
AU - Kuznetsov, Nikolay T.
N1 - Copyright: This record is sourced from MEDLINE/PubMed, a database of the U.S. National Library of Medicine
PY - 2021/1/5
Y1 - 2021/1/5
N2 - 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 [B10H9N=C(OH)R]- (R = Me, Et, nPr, iPr, tBu, 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.
AB - 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 [B10H9N=C(OH)R]- (R = Me, Et, nPr, iPr, tBu, 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.
KW - closo-decaborate
KW - diboraoxazole
KW - iminol
KW - intramolecular ring-closure reaction
KW - QTAIM analysis
KW - ASTATINATION
KW - REAGENTS
KW - MECHANISM
KW - COMPLEXES
KW - CARBORANE
KW - CLUSTER
KW - B-H
KW - DERIVATIVES
UR - http://www.scopus.com/inward/record.url?scp=85100325051&partnerID=8YFLogxK
U2 - 10.3390/molecules26010248
DO - 10.3390/molecules26010248
M3 - Article
C2 - 33466558
AN - SCOPUS:85100325051
VL - 26
JO - Molecules
JF - Molecules
SN - 1420-3049
IS - 1
M1 - 248
ER -
ID: 73921877