Kayser, Margaret M. published the artcileThe internal steric push-effect: its consequences on the reactivity of carbonyl functions in 3-substituted phthalic anhydrides, Recommanded Product: 4-Chlorophthalide, the main research area is NMR phthalic anhydride; regioselectivity nucleophilic addition; mol mechanic phthalic anhydride.
The 13C NMR for a number of 3-substituted phthalic anhydrides and corresponding lactones were measured. Substituent effects were discussed. MM2 calculations for several 3-substituted phthalic anhydrides predict that the substituent and the neighboring carbonyl group remain coplanar and within the plane of the aromatic ring. To alleviate the imposed crowding, there is an in-plane distortion of the bond angle of the substituent and the carbonyl function. The observed angle of distortion increases with increasing steric demand of the substituent, in agreement with repulsive van der Waals interaction between those two groups. Diminished reactivity of the ortho carbonyl groups vis-a-vis nucleophiles in 3-substituted phthalic anhydrides may be linked to the internal steric push-effect which causes the displacement of electrons in the CO bond from O to C.
Spectroscopy Letters published new progress about Bond angle. 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Recommanded Product: 4-Chlorophthalide.
Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem