Electric Literature of C9H7NO3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Acetylbenzo[d]oxazol-2(3H)-one, is researched, Molecular C9H7NO3, CAS is 54903-09-2, about Towards understanding the role of Lewis acid on the regioselectivity and mechanism for the acetylation reaction of 2-benzoxazolinone with acetyl chloride: a DFT study. Author is Yahia, Wassila; Nacereddine, Abdelmalek Khorief; Liacha, Messaoud.
A theor. study of the role of the Lewis acid on the regioselectivity in the acylation reaction of 2-benzoxazolinone with acetyl chloride has been carried out through DFT calculations at the B3LYP/6-31G** level of theory. FMO anal. and DFT-based reactivity indexes predicted favorable of the 6-regioisomer product. Anal. of the potential energy surfaces indicates that this acylation reaction proceeds with high 6-regioselectivity due to the favorable interactions in this pathway. The results obtained corroborate very well with the exptl. data.
After consulting a lot of data, we found that this compound(54903-09-2)Electric Literature of C9H7NO3 can be used in many types of reactions. And in most cases, this compound has more advantages.
Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics