A high density monolayer of diisocyanide on gold surface was utilized as a platform of supported Rh catalyst for selective 1,4-hydrogenation of α,β-unsaturated carbonyl compounds. The catalyst exhibited high turnover numbers in a range of 50 000 to 150 000 per Rh atom and showed steady catalyst performance over six recycle usages.

Electronic delocalization, a central concept in organic chemistry, is being invoked increasingly in biological contexts [1–3]. We have discovered a non-covalent interaction in proteins, termed the n→π* interaction, in which the lone pair (n) of the oxygen (Oi–1) of a peptide bond overlaps with the antibonding orbital (π*) of the carbonyl group (C′i=Oi) of the subsequent peptide bond (Figure 1A,...

Quantitative structure—antiulcer activity relationships of 1-(aminocarbonylalkyl)-4-benzylpiperazine derivatives (I) were analyzed by using the adaptive least-squares (ALS) technique. Discriminant functions show that (1) a bulky amide moiety is disadvantageous, (2) a small number of methylene groups between carbonyl and piperazine is favorable, (3) a substituent which has a large B1 value (or B...

A novel DBU-mediated oxidative cyanation of α-amino carbonyl compounds by using air as the sole oxidant was developed under mild metal-free conditions for the first time. The reaction involves a tandem oxidation/Strecker reaction/oxidation process and provides a new and efficient method for the construction of α-iminonitriles in good to high yields in a single step.

The reactions between fifteen carbonyl oxides and water have been investigated with the aim of contributing to a better understanding of the effects of the substituents in the reactivity of carbonyl oxides. We have employed density functional theory and large scale ab initio methods (CCSD(T), CASSCF, and CASPT2), combined with transition state theory, to investigate the addition of water to car...

Noncovalent interactions define and modulate biomolecular structure, function, and dynamics. In many protein secondary structures, an intimate interaction exists between adjacent carbonyl groups of the main-chain amide bonds. As this short contact contributes to the energetics of protein conformational stability as well as protein-ligand interactions, understanding its nature is crucial. The in...

The formation of 1,3-diketones was observed in the reactions of bulky acyl chlorides with methyllithium. The reaction products depend on the steric hindrance around the carbonyl group of the acyl chloride and the electronic effect of the group(s) linked to the carbonyl. When the steric hindrance around the carbonyl group of the acyl chloride is big enough, the 1,3-diketone is the only product. ...

silica sulfuric acid is employed as solid acid catalyst for the clean and less hazardousprotection of carbonyl compounds as 2,4-dinitrophenylhydrazone under solvent-free conditions.

in an environmentally benign solventless system, alcohols are rapidly oxidized to carbonyl compounds using hexamethylenetetramine-bromine on wet alumina under microwave irradiation.