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Methyl N-(2-bromo-4-chlorophenyl)carbamate محمد بطاح الشمري

In the title molecule, C8H7BrClNO2, the bromochlorophenyl ring is inclined to the methylcarbamate unit by 32.73 (7). In the crystal, N—H O hydrogen bonds form chains of molecules parallel to [100].

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1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea محمد بطاح الشمري

In the title compound, C10H11F3N2O, the dihedral angle between the dimethylurea and phenyl group planes is 37.49 (7). In the crystal, molecules are linked by N—H O hydrogen bonds, generating chains propagating in the [010] direction. The trifluoromethyl group is disordered over two orientations in a 0.577 (12):0.423 (12) ratio.

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1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea محمد بطاح الشمري

The bromo­methyl­phenyl and di­methyl­thio­urea groups of the mol­ecule of the title compound, C10H13BrN2S, are inclined to one another at an inter­planar angle of 55.13 (6)°. In the crystal, mol­ecules are stacked along the b axis and inter­molecular N—HS contacts form chains of mol­ecules along [010].

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S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate محمد بطاح الشمري

In the title compound, C19H27F3N2OS2, the dihedral angle between the benzene ring and di­thio­carbamate group is 67.00 (9)° and a weak intra­molecular N—HS inter­action generates an S(7) ring. The tert-butyl group is disordered over two orientations in a 0.628 (14):0.372 (14) ratio. In the crystal, inversion dimers linked by pairs of weak C—HO inter­actions generate R22(20) loops and the aromatic rings of neighbouring pairs of mol­ecules are involved in very weak π–π stacking inter­actions [centroid–centroid separation = 4.0042 (13) Å].

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Molecular docking and glucosidase inhibition studies of novel N-arylthiazole-2-amines and Ethyl 2-[aryl(thiazol-2-yl)amino]acetates محمد بطاح الشمري

This study describes an efficient synthesis of a series of novel ethyl 2-[aryl(thiazol-2-yl)amino]acetates (4a–l) from N-arylthiazole-2-amines (3a–l). The reaction conditions were optimized and the best results were obtained when ethyl chloroacetate was used as alkylating agent and NaH as base in THF. α-glucosidase and β-glucosidase inhibition activities of N-arylthiazole-2-amines (3a–l) and ethyl 2-[aryl(thiazol-2-yl)amino]acetates (4a–l) were determined, which revealed that most of the compounds showed high percentage inhibition towards the enzymes. Among the synthesized compounds, 4e appeared to have the highest inhibition towards α-glucosidase having IC50 value of 150.4 ± 1.9 μM which was almost two folds as compared to acarbose (336.9 ± 9.0 μM) taken as standard. Molecular docking of the compounds 3g, 3f, 4a, and 4e was also performed which showed their bonding modes to the enzyme’s active sites via amino and acetate groups, respectively.

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Side-Chain Lithiation of N′-(4-Chlorophenethyl)- and N′-(4-Methylphenethyl)-N,N- dimethylureas: Experimental and Theoretical Approaches محمد بطاح الشمري

αα-Lithiation of N′N′-(4-chlorophenethyl)- and N′N′-(4-methylphenethyl)-N, N-dimethylureas occurs using t-butyllithium (3.3 molar equivalents) in dry tetrahydrofuran at −−60 to 0 ∘C∘C on NH and on the CH2CH2 next to the aryl ring. The lithium reagents generated in situ are trapped with several electrophiles (benzophenone, cyclohexanone, 2-butanone, 4-anisaldehyde, and benzaldehyde) to afford the corresponding substituted ureas in 79–96% yields. The experimental results were sustained by density functional theory calculations, which show that the side chain on the CH2CH2 adjacent to the aryl ring is the most favorable site for the αα-lithiation of N′N′-(4-chlorophenethyl)-N, N-dimethylurea and N′N′-(4-methylphenethyl)-N, N-dimethylurea.

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Novel Animal Bone Meal-Supported Palladium as Green and Efficient Catalyst for Suzuki Coupling Reaction in Water Under Sunlight محمد بطاح الشمري

Animal-bone-meal-supported palladium (0) was prepared and used as catalyst in the Suzuki coupling reaction in water, under sunlight as an alternative source of energy. This palladium has showed a high catalytic activity than tetrakis(triphenylphosphine) palladium (Pd(PPh3)4) in the Suzuki cross-coupling reaction (the reaction of 4-halogenopyridopyrimidine with boronic acids) in water via sunlight as the light source, with no addition of ligands. This green method affords heteroaryls with excellent yields in comparison with the classical method using tetrakis(triphenylphosphine) palladium. The green catalyst did not show any significant loss of activity, even when used up to five times.

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Crystal structure of (E)-3-methyl-4-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4- yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1-phenyl-1H-pyrazol-5(4H)-one محمد بطاح الشمري

C29H23N7O, triclinic, P1̅ (no. 2), a = 8.2785(12) Å, b = 12.1750(18) Å, c = 13.8122(16) Å, α = 114.401(13)°, β = 103.083(11)°, γ = 93.384(12)°, V = 1216.5(3)Å3, Z = 2, Rgt(F) = 0.0713, wRref(F2) = 0.1880, T = 293(2) K.

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Crystal structure of 1,1-dimethyl-3-(4-methoxyphenyl)urea محمد بطاح الشمري

C10H14N2O2, monoclinic, P21/c (no. 14), a = 14.9185(12) Å, b = 7.7243(6) Å, c = 9.2229(5) Å, β = 91.032(6)°, V = 1062.63(13) Å3, Z = 4, T = 293(2) K.

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Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea محمد بطاح الشمري

C24H25ClN2O2, orthorhombic, P212121 (no. 19), a = 5.9066(2) Å, b = 15.7928(3) Å, c = 21.7829(6) Å, V = 2031.95(10) Å3, Z = 4, Rgt(F) = 0.0319, wRref(F2) = 0.0838, T = 150(2) K.

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