Search results for "4-dione"
showing 10 items of 50 documents
CCDC 195039: Experimental Crystal Structure Determination
2004
Related Article: V.A.Chebanov, S.M.Desenko, O.V.Shishkin, N.N.Kolos, S.A.Komykhov, V.D.Orlov, H.Meier|2003|J.Heterocycl.Chem.|40|25|doi:10.1002/jhet.5570400102
CCDC 2121374: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk
CCDC 2222724: Experimental Crystal Structure Determination
2022
Related Article: Lia̅na Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Be̅rziņš|2022|Cryst.Growth Des.|23|873|doi:10.1021/acs.cgd.2c01114
CCDC 922708: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk
CCDC 922164: Experimental Crystal Structure Determination
2022
Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk
Diastereoselective synthesis of 6-functionalized 4-aryl-1,3-oxazinan-2-ones and their application in the synthesis of 3-aryl-1,3-aminoalcohols and 6-…
2010
Abstract Halocyclocarbamation of benzyl N -(1-phenyl-3-butenyl)carbamates afforded 6-functionalized 4-aryl-1,3-oxazinan-2-ones with moderate to excellent diastereoselectivity depending on the N -substituent. Importantly, in contrast to reported cyclocarbamations of homoallylic carbamates, which are generally trans -diastereoselective, cyclization of N -unsubstituted Cbz-protected homoallylamines led to cis -1,3-oxazinan-2-ones, predominantly. The use of N -benzylated and in situ prepared N -silylated derivatives resulted however in trans -selectivity. Transition states are proposed to explain the stereochemical influence of the N -substituent on the cyclocarbamations. The functionalized 1,3…
Synthesis and X-ray Crystal Structure of New Substituted 3-4′-Bipyrazole Derivatives. Hirshfeld Analysis, DFT and NBO Studies
2021
A new compounds named 3-4′-bipyrazoles 2 and 3 were synthesized in high chemical yield from a reaction of pyran-2,4-diketone 1 with aryl hydrazines under thermal conditions in MeOH. Compound 2 was unambiguously confirmed by single-crystal X-ray analysis. It crystalizes in a triclinic crystal system and space group P-1. Its crystal structure was found to be in good agreement with the spectral characterizations. With the aid of Hirshfeld calculations, the H…H (54.8–55.3%) and H…C (28.3–29.2%) intermolecular contacts are the most dominant, while the O…H (5.8–6.5%), N…H (3.8–4.6%) and C…C (3.0–4.9%) are less dominant. The compound has a polar nature with a net dipole moment of 6.388 Debye. The …
Synthesis of C2-Symmetrical Bis-(β-Enamino-Pyran-2,4-dione) Derivative Linked via 1,6-Hexylene Spacer: X-ray Crystal Structures, Hishfeld Studies and…
2021
The synthesis of C2-symmetrical bis(β-enamino-pyran-2,4-dione) derivative 3 connected via 1,6-hexylene linker was reported for the first time. X-ray structures and Hirshfeld studies of the new bis- β-enamino-pyran-2,4-dione derivative 3 along with two structurally related pyran-2,4-dione derivatives 2a,b were discussed. A comparative analysis of the different intermolecular contacts affecting the crystal stability was presented. Generally, the H…H, O…H, and H…C interactions are common in all compounds and are considered the most abundant contacts. In addition, DFT calculations were used to compute the electronic properties as well as the 1H and 13C NMR spectra of the studied systems. All co…
CCDC 706487: Experimental Crystal Structure Determination
2009
Related Article: G.Podoprygorina, M.Bolte, V.Bohmer|2009|Org.Biomol.Chem.|7|1592|doi:10.1039/b819710e
CCDC 910846: Experimental Crystal Structure Determination
2016
Related Article: Kārlis Bērziņš, Artis Kons, Ilze Grante, Diana Dzabijeva, Ilva Nakurte, Andris Actiņš|2016|J.Pharm.Biomed.Anal.|129|433|doi:10.1016/j.jpba.2016.07.039