Regioselective alkylation of a versatile indazole: Electrophile scope and mechanistic insights from density functional theory calculations

Herein, we report a pair of regioselective N1- and N2-alkylations of a versatile indazole, methyl 5-bromo-1H-indazole-3-carboxylate (6) and the use of density functional theory (DFT) to evaluate their mechanisms. Over thirty N1- and N2-alkylated products were isolated in over 90% yield regardless of...

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Ngā kaituhi matua:	Pengcheng Lu, Luis Juarez, Paul A. Wiget, Weihe Zhang, Krishnan Raman, Pravin L. Kotian
Hōputu:	Artigo
Reo:	Inglês
I whakaputaina:	Beilstein-Institut 2024-08-01
Rangatū:	Beilstein Journal of Organic Chemistry
Ngā marau:	dft indazole indazole substitution mechanism n1-substituted indazole n2-substituted indazole regioselectivity
Urunga tuihono:	https://doi.org/10.3762/bjoc.20.170
Ngā Tūtohu:	Tāpirihia he Tūtohu Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!