{"created":"2021-03-01T06:35:00.818533+00:00","id":27050,"links":{},"metadata":{"_buckets":{"deposit":"7c7f18d4-ef93-42ef-9bbb-ec1409672728"},"_deposit":{"id":"27050","owners":[],"pid":{"revision_id":0,"type":"depid","value":"27050"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00027050","sets":["1903:1904:1905"]},"author_link":["88613"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-10-19","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"20","bibliographicPageEnd":"12783","bibliographicPageStart":"12775","bibliographicVolumeNumber":"83","bibliographic_titles":[{"bibliographic_title":"The Journal of Organic Chemistry","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The copper-catalyzed hydroarylation of 1,1,1-trifluoro-2-butyne with phenylboronic acid was investigated by performing density functional theory calculations, and a plausible mechanism was proposed. The initial transmetalation step was first examined to compare the feasibility of the catalytically active copper species. Subsequently, the carbocupration of 1,1,1-trifluoro-2-butyne by the phenylcopper species was examined in terms of regioselectivity. The impacts of the alkyne terminal group and the para-substituents of phenylboronic acids on the carbocupration were also examined. Moreover, to shed light on the role of the electron-withdrawing groups on the alkyne substrates, the activation barrier for the carbocupration of 1,1,1-trifluoro-2-butyne was compared to those for several alkyne substrates bearing ester, ketone, cyano, and pentafluorophenyl groups, as well as 2-butyne, which has no electron-withdrawing group. The final protodecupration step involving methanol, acetic acid, or phenylboronic acid was examined to determine possible proton donors.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"ファイル公開：2019-10-19","subitem_description_language":"ja","subitem_description_type":"Other"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"ACS Publications","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1021/acs.joc.8b02215","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"“This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Organic Chemistry], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-G3FHkxUG9drwD4N3feiH].”"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_10_source_id_61":{"attribute_name":"ISSN（print）","attribute_value_mlt":[{"subitem_source_identifier":"0022-3263","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Yamamoto, Yoshihiko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88613","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-10-19"}],"displaytype":"detail","filename":"JOC_MS_Rev2.pdf","filesize":[{"value":"2.7 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"JOC_MS_Rev2","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/27050/files/JOC_MS_Rev2.pdf"},"version_id":"636c2344-f315-4b09-aa90-a9922b1835f5"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["1905"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2019-02-06"},"publish_date":"2019-02-06","publish_status":"0","recid":"27050","relation_version_is_last":true,"title":["Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:47.978376+00:00"}