2024
DOI: 10.1002/kin.21714
|View full text |Cite
|
Sign up to set email alerts
|

A theoretical investigation to understand the difference in reactivities of secondary and tertiary propargylic alcohols with 1,3,5‐trimethoxybenzene in presence of Brnøsted acid

Palash Jyoti Boruah,
Moumita Debnath,
Ankita Agarwal
et al.

Abstract: The work presented here establishes the experimental findings of the reaction between secondary/tertiary propargylic alcohol (PA) and 1,3,5‐trimethoxybenzene (TMB) in the presence of acetonitrile solvent (MeCN) based on theoretical calculations. When secondary PA reacts, the reaction goes via SN2 pathway, where the reaction barrier is about 14.32 kcal/mol. On the other hand, tertiary PA reacts with TMB via SN2′ and SN1′ pathway, and the corresponding reaction barriers are 17.59 and 17.86 kcal/mol. Other possib… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 30 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?