Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, HPLC of Formula: C6H4BrI, 583-55-1, Name is 1-Bromo-2-iodobenzene, SMILES is IC1=CC=CC=C1Br, belongs to benzoxazole compound. In a document, author is Wang Kaixuan, introduce the new discover.
Unexpected Rearrangement Reaction and Synthesis of Benzoxazoles
Novel series of rearrangement reactions were herein reported that enable access to a variety of unique 2-aryl-3-(3′-oxobutenyl)-benzoxazole compounds 6a similar to 6f from 2-aminophenol, aromatic aldehyde and 3-butyn-2-one as materials by nucleophilic conjugate addition, dehydration and rearrangement reactions and intramolecular cyclization in the presence of a catalytic amount of CH3COOH in CH2Cl2 at ambient temperature. On the basis of products and intermediate products, a series of possible mechanism was presented and theoretically verified by density functional theory (DFT) method at B3LYP/6-31G (d,p) level from both molecular energy and atomic charge in Gaussian 03 package. The results show that the theory and experiment consistently explain the rationality of the reaction mechanism. The mechanism of rearrangement provides a basis for further study of this type of reaction. The advantage of this method is that a novel structure of benzoxazole derivative was synthesized successfully via a series of rearrangement reactions. Therefore, this method can be used as an attractive strategy for practical synthesis of nitrogen heterocyclic compounds.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 583-55-1. HPLC of Formula: C6H4BrI.
Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem