In the title compound, C(23)H(24)N(4)O(3)·H(2)O, the 1,3-oxazoline ring is nearly planar [maximum deviation = 0.059 (2) Å] and its mean plane is twisted by 30.12 (8)° with respect to the quinoxaline fused-ring system; the benzene ring is nearly coplanar with the quinoxaline fused-ring system [dihedral angle = 2.52 (2)°]. The water mol-ecule of crystallization is hydrogen-bond donor to an N atom of the quinoxaline ring system as well as an O atom of the oxazolinone unit, the two hydrogen bonds generating a chain running along the c axis.
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http://dx.doi.org/10.1107/S1600536811054481 | DOI Listing |
Eur J Med Chem
November 2023
Baruch S. Blumberg Institute, 3805 Old Easton Road, Doylestown, PA, 18902, USA. Electronic address:
A key step of hepatitis B virus (HBV) replication is the selective packaging of pregenomic RNA (pgRNA) by core protein (Cp) dimers, forming a nucleocapsid where the reverse transcriptional viral DNA replication takes place. One approach in the development of new anti-HBV drugs is to disrupt the assembly of HBV nucleocapsids by misdirecting Cp dimers to assemble morphologically normal capsids devoid of pgRNA. In this study, we built upon our previous discovery of benzamide-derived HBV capsid assembly modulators by exploring fused bicyclic scaffolds with an exocyclic amide that is β, γ to the fused ring, and identified 1,2,3,4-tetrahydroquinoxaline derived phenyl ureas as a novel scaffold.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2023
College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng, 252059, P. R. China.
Large-fused-ring-based conjugated polymers possess wide application prospects in optoelectronic devices due to their high charge transport and wide optical absorption. In this paper, three low-bandgap donor-acceptor (D-A) type polymers PBIT- ( = 1, 2, 3) based on alkylated benzodithiophene and tris(thienothiophene) as donors and thiadiazol-quinoxaline as an acceptor were synthesized Stille coupling polymerization at different (donor/acceptor) D/A molar feed ratios. The band gaps of PBIT-1, PBIT-2, PBIT-3 were 1.
View Article and Find Full Text PDFMacromol Rapid Commun
May 2022
Department of Physics, The LNM Institute for Information Technology, Jamdoli, Jaipur, Rajasthan, 302031, India.
Two D-A copolymers consisting of fused ring pyrrolo-dithieno-quinoxaline acceptors are synthesized with different donor units, i.e., benzodithiophene (BDT) with alkylthienyl (P134) and 2-ethylhexyloxy (P117) side chains.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2021
Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Green Printing, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China.
Electron acceptors with nonfused aromatic cores (NCAs) have aroused increasing interest in organic solar cells due to the low synthetic complexity and flexible chemical modification, but the corresponding device performance still lags behind. Herein, we designed and synthesized two new quinoxaline-based NCAs, namely, QOC6-4H and QOC6-4Cl. Although both NCAs show good backbone coplanarity, QOC6-4Cl with chlorinated end groups exhibits higher extinction coefficient, enhanced crystallinity, and more compact π-π stacking, which is correlated with the stronger intermolecular interactions induced by chlorine atoms.
View Article and Find Full Text PDFChemSusChem
September 2021
MOE Key Laboratory of Macromolecular Synthesis and Functionalization, State Key Laboratory of Silicon Materials, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, 310027, P. R. China.
To date, the fused-ring electron acceptors show the best photovoltaic performances, and the development of simple non-fullerene acceptors via intramolecular noncovalent interactions can reduce synthetic costs. In this work, four simple non-fullerene acceptors with an A-D-A'-D-A configuration (QCIC1, QCIC2, QCIC3, and QCIC4) were synthesized. They contained the same conjugated backbone (A': quinoxaline; D: cyclopentadithiophene; A: dicyano-indanone) but different halogen atoms and alkyl side chains.
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