Synthesis, Crystal Structure and Properties of Ethyl 3,9-Dimethyl-7-phenyl-6H-dibenzo[b,d]pyran-6-one-8-carboxylate

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Synthesis, Crystal Structure and Properties of Ethyl 3,9-Dimethyl-7-phenyl-6H-dibenzo[b,d]pyran-6-one-8-carboxylate

Published 2014 · C. Chao

Chinese Journal of Structural Chemistry

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Abstract

Ethyl 3,9-dimethyl-7-phenyl-6H-dibenzo[b,d]pyran-6-one-8-carboxylate(C24H20O4, Mr = 372.40) has been synthesized and its structure was determined by 1H and 13C NMR, ESI-MS, elemental analysis, and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/n, with a = 8.3674(11), b = 10.6683(14), c = 11.3817(15) , α = 95.596(2), β = 109.866(2), γ = 94.495(2)°, V = 944.2(2)3, Z = 2, Dc = 1.310 g/cm3, μ = 0.089 mm-1, F(000) = 392, R = 0.0482 and wR = 0.1281 for 2916 observed reflections with I 2σ(I). In the crystal structure, the fused tricyclic nucleus of the title compound is not fully coplanar. Analysis of the crystal packing indicates aromatic π-π stacking interactions occurring between the fused tricyclic aromatic rings of neighboring molecules in which a maximum overlap of the π-electron systems was achieved. Fluorescence and thermal studies indicate that compound 3 has good optical properties and thermal stability.

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Key takeawayEthyl 3,9-dimethyl-7-phenyl-6H-dibenzo[b,d]pyran-6-one-8-carboxylate has good optical properties and thermal stability, with aromatic - stacking interactions resulting in maximum overlap of -electron systems.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Synthesis, Crystal Structure and Properties of Ethyl 3,9-Dimethyl-7-phenyl-6H-dibenzo[b,d]pyran-6-one-8-carboxylate

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