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Aldehyde Carboxylation: A Concise DFT Mechanistic Study and a Hypothetical Role of CO (2) in the Origin of Life

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dc.contributor.authorMartin Juhl-
dc.contributor.authorMyungjo J. Kim-
dc.contributor.authorHee-Yoon Lee-
dc.contributor.authorMu-Hyun Baik-
dc.contributor.authorJi-Woong Lee-
dc.date.available2019-09-04T06:06:29Z-
dc.date.created2019-06-17-
dc.date.issued2019-06-
dc.identifier.issn0936-5214-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/6101-
dc.description.abstractCarbon dioxide is arguably one of the most stable carbon-based molecules, yet enzymatic carbon fixation processes enabled the sustainable life cycle on Earth. Chemical reactions involving CO (2) -functionalization often suffer from low efficiency with highly reactive substrates. We recently reported mild carboxylation of aldehydes to furnish -keto acids - a building block for chiral -amino acids via reductive amination. Here, we discuss potential reaction mechanisms of aldehyde carboxylation reactions based on two promoters: NHCs and KCN in the carboxylation reaction. New DFT mechanistic studies suggested a lower reaction barrier for a CO (2) -functionalization step, implying a potential role of CO (2) in prebiotic evolution of organic molecules in the primordial soup. 1 Introduction: Aldehydes, Benzoins, Carboxylic Acids 2 CO (2) -Activation: NHC, Cyanide, Lewis Acid and Water 3 A Breslow Intermediate: Benzoin Reaction vs. Carboxylation with CO (2) 4 Carboxylation in the Primordial Soup 5 Conclusio © Georg Thieme Verlag Stuttgart · New York-
dc.description.uri1-
dc.language영어-
dc.publisherGEORG THIEME VERLAG KG-
dc.subjectcarbon dioxide-
dc.subjectumpolung-
dc.subjectorigin of life-
dc.subjectcyanide-
dc.subjectamino acids-
dc.titleAldehyde Carboxylation: A Concise DFT Mechanistic Study and a Hypothetical Role of CO (2) in the Origin of Life-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000469034000001-
dc.identifier.scopusid2-s2.0-85065975240-
dc.identifier.rimsid68440-
dc.contributor.affiliatedAuthorMyungjo J. Kim-
dc.contributor.affiliatedAuthorMu-Hyun Baik-
dc.identifier.doi10.1055/s-0037-1611738-
dc.identifier.bibliographicCitationSYNLETT, v.30, no.9, pp.987 - 996-
dc.citation.titleSYNLETT-
dc.citation.volume30-
dc.citation.number9-
dc.citation.startPage987-
dc.citation.endPage996-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.subject.keywordPlusN-HETEROCYCLIC CARBENES-
dc.subject.keywordPlusSOLVATION FREE-ENERGIES-
dc.subject.keywordPlusMOLECULAR CALCULATIONS-
dc.subject.keywordPlusCARBON-DIOXIDE-
dc.subject.keywordPlusHYDROGEN CARBONATES-
dc.subject.keywordPlusAROMATIC-ALDEHYDES-
dc.subject.keywordPlusDECARBOXYLATION-
dc.subject.keywordPlusPOTENTIALS-
dc.subject.keywordPlusOXIDATION-
dc.subject.keywordPlusACYLATION-
dc.subject.keywordAuthorcarbon dioxide-
dc.subject.keywordAuthorumpolung-
dc.subject.keywordAuthororigin of life-
dc.subject.keywordAuthorcyanide-
dc.subject.keywordAuthoramino acids-
Appears in Collections:
Center for Catalytic Hydrocarbon Functionalizations(분자활성 촉매반응 연구단) > 1. Journal Papers (저널논문)
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