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Diethyl 4-(4-acetamido-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

ABSTRACT: The title compound, C(21)H(26)N(2)O(5), was unexpectedly obtained as a by-product in the reaction of ethyl acetoacetate, 4-acetamido-benzaldehyde and urea under microwave irradiation. The dihydro-pyridine ring assumes a flattened boat conformation. Inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonding occurs in the crystal.

SUBMITTER: Zhao Y

PROVIDER: S-EPMC3414982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(19)H(23)NO(4), was synthesized by the reaction of benzaldehyde, ethyl acetoacetate and NH(4)HCO(3). The dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 88.78 (9)° with the phenyl ring. The packing is stabilized by strong inter-molecular N-H⋯O and weak inter-molecular C-H⋯O hydrogen bonds.

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Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(25)NO(4), the 1,4-dihydro-pyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77?(8)° with the benzene ring. Inter-molecular N-H?O hydrogen bonds result in the formation of extended chains parallel to the b axis.

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Dimethyl 2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the crystal of the title compound, C(11)H(15)NO(4), the mol-ecules are linked into sheets by N-H?O and C-H?O hydrogen bonds. Within the mol-ecule, the 1,4-dihydro-pyridine ring exhibits a distinctive planar conformation [r.m.s. deviation from the mean plane of 0.009?(3)Å], and the other non-H atoms are almost coplanar [r.m.s. deviation = 0.021?(3)?Å] with the 1,4-dihydro-pyridine ring. The conformation of the latter is governed mainly by two intra-molecular C-H?O non-classical inter-actions.

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Diethyl 4-[4-(dimethyl-amino)phen-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(21)H(28)N(2)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The mean plane of the dihydro-pyridine ring and the attached benzene ring form a dihedral angle of 85.1?(1)?Å. One of two ethyl fragments is disordered between two conformations in a 0.67?(4):0.33?(4) ratio. In the crystal structure, mol-ecules related by translation along the a axis are linked into chains via inter-molecular N-H?O hydrogen bonds.

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Diethyl 4-(4-cyano-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(22)N(2)O(4), the dihedral angle between the roughly planar dihydro-pyridine ring (r.m.s. deviation = 0.092?Å) and the benzene ring is 87.09?(6)°. One of the eth-oxy side chains is disordered over two orientations in a 0.669?(14):0.331?(14) ratio. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating chains.

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Diethyl 4-(4-ethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(21)H(27)NO(5), the dihydropyridine ring adopts a boat conformation. The ethoxy-phenyl ring is oriented approximately perpendicular to the planar part of the dihydropyridine ring, making a dihedral angle of 89.45 (6)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, neighbouring mol-ecules are linked into chains along the a axis by N-H⋯O hydrogen bonds and the chains are inter-connected into two-dimensional networks parallel to the ab plane by C-H⋯O hydrogen bonds. The structure is further stabilized by weak C-H⋯π inter-actions.

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Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(22)H(25)N(3)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond which generates an S(9) ring motif. In the crystal, mol-ecules are linked via N-H⋯O and C-H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

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Dimethyl 4-(3,4-dimethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(23)NO(6), the 1,4-dihydro-pyridine ring is twisted slightly from planarity, with a maximum deviation of 0.101?(1)?Å, and adopts a very flattened boat conformation. The dihedral angle formed between the plane through the four C atoms of the 1,4-dihydro-pyridine ring and the benzene ring is 84.67?(7)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2979474 | biostudies-literature

Dimethyl 1,4-dihydro-4-(4-methoxy-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(21)NO(5), the dihydro-pyridine ring adopts a flattened-boat conformation and its planar part forms a dihedral angle of 84.60?(2)° with the benzene ring. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds result in the formation of zigzag layers parallel to (001). These layers are inter-connected via C-H?? inter-actions.

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Diethyl 2,6-dimethyl-4-[4-(3-phenyl-acrylo-yloxy)phen-yl]-1,4-dihydro-pyridine-3,5-dicarboxyl-ate hemihydrate.

Project description:In the title ester derivative, C28H29NO6·0.5H2O, the 1,4-dihydro-pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87?(9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56?(12)°. In the crystal, mol-ecules are bridged via O-H?O hydrogen bonds involving the partially occupied water mol-ecule, and this arrangement is strengthened by a pair of N-H?O hydrogen bonds and C-H?O inter-actions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716?(5):0.284?(5).

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