2,283 research outputs found
Dimethyl 4-(4-formylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
The title compound, C18H19NO5, is a product of the Hantzsch reaction of p-phthalaldehyde, methyl acetoacetate, and ammonium acetate. The 1,4-dihydropyridine ring of the molecule adopts a flattened boat conformation. The benzene ring is almost perpendicular to the 1,4-dihydropyridine ring; the plane through the six C atoms of the benzene ring and the plane through the four C atoms that form the base of the boat-shaped 1,4-dihydropyridine ring (excluding the ring N atom and the opposite ring C atom) make a dihedral angle of 87.60 (3)°. Intermolecular N—H⋯O hydrogen bonds result in the formation of extended chains along the a axis
Conformation of 1,4-dihydropyridine — planar or boat-like?
AbstractThe geometry of the 1,4-dihydropyridine molecule was completely optimized employing three different ab initio basis sets (6–31 G*, 4–31 G, STO—3G). The most reliable 6–31G* basis set provides a very flat boat conformation which may easily undergo defolding to a planar ring arrangement. This result is discussed with respect to enzymatic redox cofactors and the pharmacological activity of dihydropyridine calcium antagonists
A copper-benzotriazole based coordination polymer catalyzes the efficient one-pot synthesis of (N'-substituted)-hydrazo-4-aryl-1,4-dihydropyridines from azines
A series of new (N’-substituted)-hydrazo-4-aryl-1,4 dihydropyridines were successfully synthesized via a facile one pot catalytic pathway utilizing azines and propiolate esters as starting materials and 1D Cu benzotriazoles based coordination polymer as catalyst. In the absence of catalyst, the corresponding 5-substituted 4,5-dihydro pyrazoles were formed in moderate to high yields. Fine-tuning the catalysts allowed us to gain more insights regarding the plausible reaction mechanism
Sultones and Sultines via a Julia-Kocienski Reaction of Epoxides
We thank the EPSRC/Syngenta for a CASE Ph.D. Studentship (to G.M.T.S. under grant EP/J50029X/1), the EPSRC UK National Mass Spectrometry Facility at Swansea University and the EPSRC UK National Crystallography Service Facility at Southampton University.37 We are indebted to Andrew Plant and Janice Black (Syngenta) for the initial suggestion of using the combination of LiN(SiMe3)2/CH2Cl2 and Matthew Reid (Syngenta) for NMR assistance
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