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Theoretical Study of the Mechanism of Palladium(0)‐Catalyzed Intramolecular [2+2+2] Cycloaddition of Ester‐Substituted Alkynes
http://hdl.handle.net/2237/0002001419
http://hdl.handle.net/2237/0002001419ba65259c-d3c1-4d3f-bdaf-ce10054d99e7
名前 / ファイル | ライセンス | アクション |
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Item type | itemtype_ver1(1) | |||||||
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公開日 | 2021-09-10 | |||||||
タイトル | ||||||||
タイトル | Theoretical Study of the Mechanism of Palladium(0)‐Catalyzed Intramolecular [2+2+2] Cycloaddition of Ester‐Substituted Alkynes | |||||||
言語 | en | |||||||
著者 |
Yamamoto, Yoshihiko
× Yamamoto, Yoshihiko
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アクセス権 | ||||||||
アクセス権 | open access | |||||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||
権利 | ||||||||
言語 | en | |||||||
権利情報 | "This is the peer reviewed version of the following article: [Yamamoto, Y. (2020), Theoretical Study of the Mechanism of Palladium(0)-Catalyzed Intramolecular [2+2+2] Cycloaddition of Ester-Substituted Alkynes. Eur. J. Org. Chem., 2020: 7455-7465. https://doi.org/10.1002/ejoc.202001349], which has been published in final form at [https://doi.org/10.1002/ejoc.202001349]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited." | |||||||
内容記述 | ||||||||
内容記述 | The mechanisms of the palladium(0)-catalyzed cross [2+2+2] cycloaddition of a diyne diester with dimethyl acetylenedicarboxylate and of the [2+2+2] cyclization of a triyne diester were investigated using density functional theory calculations. After evaluating the kinetic and thermodynamic profiles of each reaction, the roles of the ester substituents on the alkyne substrates and of the triphenylphosphine ligand are discussed based on the obtained results. Moreover, the previously unreported cross [2+2+2] cycloaddition of the diyne diester with nitriles was also investigated, in order to evaluate its feasibility under the relevant experimental conditions. | |||||||
言語 | en | |||||||
内容記述タイプ | Abstract | |||||||
出版者 | ||||||||
言語 | en | |||||||
出版者 | Wiley | |||||||
言語 | ||||||||
言語 | eng | |||||||
資源タイプ | ||||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||||
タイプ | journal article | |||||||
出版タイプ | ||||||||
出版タイプ | AM | |||||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||
関連情報 | ||||||||
関連タイプ | isVersionOf | |||||||
識別子タイプ | DOI | |||||||
関連識別子 | https://doi.org/10.1002/ejoc.202001349 | |||||||
収録物識別子 | ||||||||
収録物識別子タイプ | PISSN | |||||||
収録物識別子 | 1434-193X | |||||||
書誌情報 |
en : European Journal of Organic Chemistry 巻 2020, 号 48, p. 7455-7465, 発行日 2020-12-31 |
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ファイル公開日 | ||||||||
日付 | 2021-12-31 | |||||||
日付タイプ | Available |