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Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes
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| Zeitschriftentitel: | Journal of Physical Organic Chemistry |
|---|---|
| Personen und Körperschaften: | , , |
| In: | Journal of Physical Organic Chemistry, 33, 2020, 6 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
Wiley
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| Schlagwörter: |
| author_facet |
Byers, Philip Doyle, Patrick Augusta, Alexandra Byers, Philip Doyle, Patrick Augusta, Alexandra |
|---|---|
| author |
Byers, Philip Doyle, Patrick Augusta, Alexandra |
| spellingShingle |
Byers, Philip Doyle, Patrick Augusta, Alexandra Journal of Physical Organic Chemistry Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes Organic Chemistry Physical and Theoretical Chemistry |
| author_sort |
byers, philip |
| spelling |
Byers, Philip Doyle, Patrick Augusta, Alexandra 0894-3230 1099-1395 Wiley Organic Chemistry Physical and Theoretical Chemistry http://dx.doi.org/10.1002/poc.4056 <jats:title>Abstract</jats:title><jats:p>A new type of concerted cycloaddition‐fragmentation reaction utilizing carbamic acid as the amine source is herein reported. This method will require the use of carbamic acid for these reactions that are driven forward by elimination of a highly stable small molecule (CO<jats:sub>2</jats:sub>). The formation of this gaseous by‐products would make this type of concerted reaction irreversible, driving the reaction to completion. A theoretical study was completed at the B3LYP/6‐31G(d,p) level, providing evidence of the feasibility of this reaction. Additional computation work was done to show how adding electron donating groups to carbamic acid and electron withdrawing groups, such as fluorine, to the alkyne can additionally lower the activation energy of this reaction. This potential new methodology of unsaturated systems would allow for hydroaminations without the need for transition metal catalysts.</jats:p> Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes Journal of Physical Organic Chemistry |
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| title |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_unstemmed |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_full |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_fullStr |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_full_unstemmed |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_short |
Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_sort |
theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
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Organic Chemistry Physical and Theoretical Chemistry |
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http://dx.doi.org/10.1002/poc.4056 |
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2020 |
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<jats:title>Abstract</jats:title><jats:p>A new type of concerted cycloaddition‐fragmentation reaction utilizing carbamic acid as the amine source is herein reported. This method will require the use of carbamic acid for these reactions that are driven forward by elimination of a highly stable small molecule (CO<jats:sub>2</jats:sub>). The formation of this gaseous by‐products would make this type of concerted reaction irreversible, driving the reaction to completion. A theoretical study was completed at the B3LYP/6‐31G(d,p) level, providing evidence of the feasibility of this reaction. Additional computation work was done to show how adding electron donating groups to carbamic acid and electron withdrawing groups, such as fluorine, to the alkyne can additionally lower the activation energy of this reaction. This potential new methodology of unsaturated systems would allow for hydroaminations without the need for transition metal catalysts.</jats:p> |
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| author | Byers, Philip, Doyle, Patrick, Augusta, Alexandra |
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| author_sort | byers, philip |
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| description | <jats:title>Abstract</jats:title><jats:p>A new type of concerted cycloaddition‐fragmentation reaction utilizing carbamic acid as the amine source is herein reported. This method will require the use of carbamic acid for these reactions that are driven forward by elimination of a highly stable small molecule (CO<jats:sub>2</jats:sub>). The formation of this gaseous by‐products would make this type of concerted reaction irreversible, driving the reaction to completion. A theoretical study was completed at the B3LYP/6‐31G(d,p) level, providing evidence of the feasibility of this reaction. Additional computation work was done to show how adding electron donating groups to carbamic acid and electron withdrawing groups, such as fluorine, to the alkyne can additionally lower the activation energy of this reaction. This potential new methodology of unsaturated systems would allow for hydroaminations without the need for transition metal catalysts.</jats:p> |
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| spelling | Byers, Philip Doyle, Patrick Augusta, Alexandra 0894-3230 1099-1395 Wiley Organic Chemistry Physical and Theoretical Chemistry http://dx.doi.org/10.1002/poc.4056 <jats:title>Abstract</jats:title><jats:p>A new type of concerted cycloaddition‐fragmentation reaction utilizing carbamic acid as the amine source is herein reported. This method will require the use of carbamic acid for these reactions that are driven forward by elimination of a highly stable small molecule (CO<jats:sub>2</jats:sub>). The formation of this gaseous by‐products would make this type of concerted reaction irreversible, driving the reaction to completion. A theoretical study was completed at the B3LYP/6‐31G(d,p) level, providing evidence of the feasibility of this reaction. Additional computation work was done to show how adding electron donating groups to carbamic acid and electron withdrawing groups, such as fluorine, to the alkyne can additionally lower the activation energy of this reaction. This potential new methodology of unsaturated systems would allow for hydroaminations without the need for transition metal catalysts.</jats:p> Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes Journal of Physical Organic Chemistry |
| spellingShingle | Byers, Philip, Doyle, Patrick, Augusta, Alexandra, Journal of Physical Organic Chemistry, Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes, Organic Chemistry, Physical and Theoretical Chemistry |
| title | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_full | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_fullStr | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_full_unstemmed | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_short | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_sort | theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| title_unstemmed | Theoretical study of concerted hydroamination‐fragmentation reactions to alkenes and alkynes |
| topic | Organic Chemistry, Physical and Theoretical Chemistry |
| url | http://dx.doi.org/10.1002/poc.4056 |