reactions of dihydropyridines with benzyne

REACTIONS OF DIHYDROPYRIDINES WITH BENZYNE

Reactions of 1 ,Zdihydropyridines (la-c) and 1,4-dihydropyridines (2a-c) in the presence of benzyne (3) under thermal conditions, and in the case of (2c) under photochemical conditions, have been investigated. Benzyne acts as an oxidizing agent to convert dihydropyridine (la) and (2a) to the corresponding pyridine (4) or adds as a dienophile to (lb-c).

BENZYNE AS AN INTERMEDlATE IN NUCLEO - PHILIC AROMATIC SUBSTITUTION REACTIONS

IT sometimes happens in organic chemistry that a large body of related fact accumulates which seemingly cannot be rationalized on the basis of the currently available theoretical concepts. In such circumstances, substantial clarification may often be achieved by an approach which is novel only in application .to the system at band. The pieces of the puzzle may then fall into place and experimen...

The structures of m-benzyne and tetrafluoro-m-benzyne.

The structures of m-benzyne and its fluorinated derivative, tetrafluoro-m-benzyne, were investigated using coupled cluster methods including triple excitations [CCSD(T) and CCSDT], different reference wave functions (spin-restricted Hartree-Fock, spin-unrestricted Hartree-Fock, and Brueckner), and different basis sets [6-31G(d,p) and correlation-consistent valence triple-zeta (cc-pVTZ)]. The in...

The Thorium Benzyne

Reactions of o-benzyne with propargyl and benzyl radicals: potential sources of polycyclic aromatic hydrocarbons in combustion.

The kinetics and mechanisms of the reactions of o-benzyne with propargyl and benzyl radicals have been investigated computationally. The possible reaction pathways have been explored by quantum chemical calculations at the M06-2X/6-311+G(3df,2p)//B3LYP/6-311G(d,p) level and the mechanisms have been investigated by the Rice-Ramsperger-Kassel-Marcus theory/master-equation calculations. It was fou...

Oxidation of Hantzsch 1,4- Dihydropyridines to Pyridines with Thallium Triacetate

Hantzsch 1, 4-dihydropyridines (1,4-DHPs) can be oxidized to the corresponding pyridine derivatives by thallium triacetate in high yields.