85902-32-5Relevant academic research and scientific papers
Synthesis, crystal structure and DFT study of 5-tert-butyl-2-hydroxy-1,3- phenylene-bis(phenylmethanone)
Gupta, Sushil K.,Anjana, Chanda,Sen, Neha,Jasinski, Jerry P.,Golen, James A.
, p. 960 - 967 (2012)
The title compound C24H22O3, [common name: 4-tert-butyl-2,6-dibenzoylphenol (bdbpH)] (I), crystallizes in the orthorhombic space group P2(1)2(1)2(1) with unit cell parameters a = 7.7633(3), b = 11.4457(6) and c = 21.5319(8) A, α = β = γ = 90°, Z = 4. In the crystal structure of I, the dihedral angles between the mean planes of the central phenyl ring and the two benzene rings are 71.3(1)°and 44.9(7)°. The two benzene rings are not coplanar with dihedral angles of 42.6(7)°between them. An intramolecular O-H???O hydrogen bond is observed in the asymmetric unit. The crystal packing is stabilized by weak intermolecular C-H???O interactions. Comparison of the optimized geometries by means of a density functional theory molecular orbital theoretical calculation at the B3LYP/6-31g(d) level with the corresponding crystal structures gives support to these observations. The electronic spectra of I and 4-methyl-2,6-dibenzoylphenol (mdbpH) also predicted by the B3LYP/6-31g(d) method show some blue shifts compared with their experimental data.
RhIII-Catalyzed Decarboxylative o-Acylation of Arenes Bearing an Oxidizing Directing Group
Bera, Suvankar,Chandrasekhar,Chatterjee, Satadru,Killi, Sunil Kumar,Sarkar, Debabrata,Banerji, Biswadip
, p. 3877 - 3881 (2019/06/28)
Here in we report, rhodium(III)-catalyzed decarboxylative acylation of arenes using α-oxocarboxylic acids as acyl surrogate. In this strategy, O–NHAc group act as an autocleavable oxidizing directing group (ODGauto), thus giving rise to ortho-acylated phenols in moderate to good yields. Mechanistic studies provided strong support for a kinetically relevant C–H bond activation. According to the best of our knowledge, this is the first report of Rhodium catalyzed decarboxylative acylation.
