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Lewis Acid Assisted Brønsted Acid Catalysed Decarbonylation of Isocyanates: A Combined DFT and Experimental Study.
Dasgupta, Ayan; van Ingen, Yara; Guerzoni, Michael G; Farshadfar, Kaveh; Rawson, Jeremy M; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.
Affiliation
  • Dasgupta A; Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
  • van Ingen Y; Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
  • Guerzoni MG; Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
  • Farshadfar K; Department of Chemistry, Islamic Azad University, Central TehranBranch, Poonak, Tehran, 1469669191, Iran.
  • Rawson JM; Department of Chemistry and Biochemistry, University of Windsor, 401 Sunset Ave., Windsor, ON N9B 3P4, Canada.
  • Richards E; Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
  • Ariafard A; School of Natural Sciences-Chemistry, University of Tasmania, Private Bag 75, Hobart, Tasmania, 7001, Australia.
  • Melen RL; Cardiff Catalysis Institute, School of Chemistry, Cardiff University main Building, Park Place, Cardiff, CF10 3AT, Cymru/Wales, United Kingdom.
Chemistry ; 28(45): e202201422, 2022 Aug 10.
Article in En | MEDLINE | ID: mdl-35560742
An efficient and mild reaction protocol for the decarbonylation of isocyanates has been developed using catalytic amounts of Lewis acidic boranes. The electronic nature (electron withdrawing, electron neutral, and electron donating) and the position of the substituents (ortho/meta/para) bound to isocyanate controls the chain length and composition of the products formed in the reaction. Detailed DFT studies were undertaken to account for the formation of the mono/di-carboxamidation products and benzoxazolone compounds.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Boranes / Isocyanates Language: En Journal: Chemistry Journal subject: QUIMICA Year: 2022 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Boranes / Isocyanates Language: En Journal: Chemistry Journal subject: QUIMICA Year: 2022 Document type: Article Affiliation country: Country of publication: