Final Thoughts on Chemistry for 590-67-0

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New discoveries in chemical research and development in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals. In an article, author is Wang Kaixuan, once mentioned the application of 590-67-0, Recommanded Product: 590-67-0, Name is 1-Methylcyclohexanol, molecular formula is C7H14O, molecular weight is 114.1855, MDL number is MFCD00003857, category is benzoxazole. Now introduce a scientific discovery about this category.

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.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem