Crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo [11.3.1.03.12.06.11]heptadeca-3,5,7,9,11-pentaene-17-carboxylate

doi:10.1007/S10947-009-0077-0

Paper

Crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo [11.3.1.03.12.06.11]heptadeca-3,5,7,9,11-pentaene-17-carboxylate

Published Jul 17, 2009 · M. Kurbanova, A. V. Kurbanov, R. Askerov

Journal of Structural Chemistry

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Abstract

The crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo[11.3.1.03.12.06.11]heptadeca-3,5,7, 9,11-pentaene-17-carboxylate were determined by XRD, and the conformations of their structures were determined.

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The crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-ox

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo [11.3.1.03.12.06.11]heptadeca-3,5,7,9,11-pentaene-17-carboxylate

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References

Ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

This crystal structure is stabilized by intermolecular O-HO hydrogen bonds and N-HO hydrogen bonds, with all bond lengths and angles normal.

Methyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

The title compound was successfully synthesized using 3,4,5-trimethoxybenzaldehyde, methyl 3-oxobutanoate, and urea in acetonitrile, catalyzed by Bi(NO3)3, resulting in a twisted tetrahydropyrimidin-2-one ring.

Dihydropyrimidinones containing boronic acids

Boron-containing dihydropyrimidinones show potential as anticancer agents against breast cancer cell line MCF7.

Ethyl 4‐(4‐hydroxyphenyl)‐6‐methyl‐2‐oxo‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate

This compound exhibits rotational disorder and exhibits a three-dimensional network of intermolecular hydrogen-bond interactions, with a strong affinity for pyrimidine-5-carboxylate.

One-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones using boric acid as catalyst

This study presents a one-pot method for synthesis of 3,4-dihydropyrimidin-2(1H)-one derivatives using boric acid, offering excellent yields (86-97%) and short reaction time (0.5-2 hours).

Conformational analysis of 4-aryl-dihydropyrimidine calcium channel modulators. A comparison of ab initio, semiempirical and X-ray crystallographic studies

The lowest energy conformation of 4-aryl-dihydropyrimidine calcium channel modulators is identical to the receptor-bound geometry predicted by computational methods.

Calcium entry blockers and activators: conformational and structural determinants of dihydropyrimidine calcium channel modulators.

The orientation of the 4-aryl group at the DHP receptor determines the effect of calcium channel modulation, with enantiomers having opposite activity depending on the orientation of the 4-aryl group.

Citations

Crystal structures of ethyl-4-(5-bromo-2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and ethyl-1-methyl-15-oxo-2-oxa-14,16-diazatetracyclo [11.3.1.03.12.06.11]heptadeca-3,5,7,9,11-pentaene-17-carboxylate

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References

Ethyl 4-(2-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

This crystal structure is stabilized by intermolecular O-HO hydrogen bonds and N-HO hydrogen bonds, with all bond lengths and angles normal.

Methyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

The title compound was successfully synthesized using 3,4,5-trimethoxy­benzaldehyde, methyl 3-oxobutanoate, and urea in acetonitrile, catalyzed by Bi(NO3)3, resulting in a twisted tetra­hydro­pyrimidin-2-one ring.

Dihydropyrimidinones containing boronic acids

Boron-containing dihydropyrimidinones show potential as anticancer agents against breast cancer cell line MCF7.

Ethyl 4‐(4‐hydroxy­phenyl)‐6‐methyl‐2‐oxo‐1,2,3,4‐tetra­hydro­pyrimidine‐5‐carboxyl­ate

This compound exhibits rotational disorder and exhibits a three-dimensional network of intermolecular hydrogen-bond interactions, with a strong affinity for pyrimidine-5-carboxylate.

One-pot synthesis of 3,4-dihydropyrimidin-2(1H)-ones using boric acid as catalyst

This study presents a one-pot method for synthesis of 3,4-dihydropyrimidin-2(1H)-one derivatives using boric acid, offering excellent yields (86-97%) and short reaction time (0.5-2 hours).

Conformational analysis of 4-aryl-dihydropyrimidine calcium channel modulators. A comparison of ab initio, semiempirical and X-ray crystallographic studies

The lowest energy conformation of 4-aryl-dihydropyrimidine calcium channel modulators is identical to the receptor-bound geometry predicted by computational methods.

Calcium entry blockers and activators: conformational and structural determinants of dihydropyrimidine calcium channel modulators.

The orientation of the 4-aryl group at the DHP receptor determines the effect of calcium channel modulation, with enantiomers having opposite activity depending on the orientation of the 4-aryl group.

Citations

Ethyl 4-(2-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

The title compound was successfully synthesized using 3,4,5-trimethoxybenzaldehyde, methyl 3-oxobutanoate, and urea in acetonitrile, catalyzed by Bi(NO3)3, resulting in a twisted tetrahydropyrimidin-2-one ring.

Ethyl 4‐(4‐hydroxyphenyl)‐6‐methyl‐2‐oxo‐1,2,3,4‐tetrahydropyrimidine‐5‐carboxylate