دورية أكاديمية
A Computational Investigation of the Ligand-Controlled Cu-Catalyzed Site-Selective Propargylation and Allenylation of Carbonyl Compounds.
| العنوان: | A Computational Investigation of the Ligand-Controlled Cu-Catalyzed Site-Selective Propargylation and Allenylation of Carbonyl Compounds. |
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| المؤلفون: | Zou Y; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Gutierrez O; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Sader AC; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Patel ND; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Fandrick DR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Busacca CA; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Fandrick KR; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States., Kozlowski M; Department of Chemistry, Roy and Diana Vagelos Laboratories, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States., Senanayake CH; Department of Chemical Development, Boehringer Ingelheim Pharmaceuticals, Inc. , 900 Ridgebury Road, Ridgefield, Connecticut 06778, United States. |
| المصدر: | Organic letters [Org Lett] 2017 Nov 17; Vol. 19 (22), pp. 6064-6067. Date of Electronic Publication: 2017 Nov 02. |
| نوع المنشور: | Journal Article; Research Support, N.I.H., Extramural |
| اللغة: | English |
| بيانات الدورية: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 100890393 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1523-7052 (Electronic) Linking ISSN: 15237052 NLM ISO Abbreviation: Org Lett Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Washington, DC : American Chemical Society, c1999- |
| مواضيع طبية MeSH: | Alkadienes/*chemistry, Catalysis ; Copper ; Ketones ; Ligands ; Molecular Structure |
| مستخلص: | A copper-catalyzed site-selective propargylation/allenylation reaction toward carbonyl compounds has been mechanistically investigated using a computational approach. Different reaction pathways and catalytic cycles were investigated. Control of the site selectivity arises from a destabilizing interaction introduced by the phenyl-substituted ligand. |
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| معلومات مُعتمدة: | R01 GM087605 United States GM NIGMS NIH HHS |
| المشرفين على المادة: | 0 (Alkadienes) 0 (Ketones) 0 (Ligands) 4AV0LZ8QKB (propadiene) 789U1901C5 (Copper) |
| تواريخ الأحداث: | Date Created: 20171103 Date Completed: 20180905 Latest Revision: 20210430 |
| رمز التحديث: | 20231215 |
| مُعرف محوري في PubMed: | PMC5718194 |
| DOI: | 10.1021/acs.orglett.7b02845 |
| PMID: | 29095633 |
| قاعدة البيانات: | MEDLINE |
Find this issue from the American Chemical Society | تدمد: | 1523-7052 |
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| DOI: | 10.1021/acs.orglett.7b02845 |