Journal
JOURNAL OF ORGANIC CHEMISTRY
Volume 77, Issue 14, Pages 6179-6185Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jo300949d
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Funding
- Department of Science and Technology (DST) [GAP-0303]
- Council of Scientific and Industrial Research (CSIR), New Delhi, India [MLP0010C]
- UGC
- CSIR-EMR
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DFT computational studies in the cyclization of aminoalkyne (see structure), which is generated in situ by 2-aminobenzaldehydes and terminal alkynes in the presence of metals and secondary amines, has been investigated. The study revealed that the mode of cyclization (exo vs endo) depends on the protecting group on nitrogen, the oxidation state of copper, and substitution on alkyne.
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