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231225s2020 xx |||||o 00| ||eng c |
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|a 10.1021/acs.organomet.9b00733
|2 doi
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|a pubmed24n1043.xml
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|a (NLM)32728308
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
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|a Peterson, Paul O
|e verfasserin
|4 aut
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|a Direct Observation of Transmetalation from a Neutral Boronate Ester to a Pyridine(diimine) Iron Alkoxide
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|c 2020
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 13.01.2021
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Transmetallation of the neutral boronate esters, (2-benzofuranyl)BPin and (2-benzofuranyl)BNeo (Pin = pinacolato, Neo = neopentylglycolato) to a representative pyridine(diimine) iron alkoxide complex, (iPrPDI)FeOEt (iPrPDI = 2,6-(2,6-iPr2-C6H3N=CMe)2C5H3N; R = Me, Et, SiMe3), to yield the corresponding iron benzofuranyl derivative was studied. Synthesis of the requisite iron alkoxide complexes was accomplished either by salt metathesis between (iPrPDI)FeCl and NaOR (R = Me, Et, SiMe3) or by protonation of the iron alkyl, (iPrPDI)FeCH2SiMe3, by the free alcohol R'OH (R' = Me, Et). A combination of magnetic measurements, X-ray diffraction, NMR and Mössbauer spectroscopies and DFT calculations identified each (iPrPDI)FeOR compound as an essentially planar, high-spin, S = 3/2 compound engaged in antiferromagnetic coupling with a radical anion on the chelate (S Total = 3/2; S Fe = 2, S PDI = 1/2). The resulting iron benzofuranyl product, (iPrPDI)Fe(2-benzofuranyl) was characterized by X-ray diffraction and in combination with magnetic measurements, spectroscopic and computational data, was identified as an overall S = 1/2 compound, demonstrating that a net spin-state change accompanies transmetallation (S Fe = 1, S PDI = 1/2). These findings may be relevant to further development of iron-catalyzed Suzuki-Miyaura cross-coupling with neutral boronate esters and alkoxide bases
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|a Journal Article
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|a Rummelt, Stephan M
|e verfasserin
|4 aut
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|a Wile, Bradley M
|e verfasserin
|4 aut
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1 |
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|a Stieber, S Chantal E
|e verfasserin
|4 aut
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| 700 |
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|a Zhong, Hongyu
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Chirik, Paul J
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Organometallics
|d 1998
|g 39(2020), 1 vom: 13. Jan., Seite 201-205
|w (DE-627)NLM098167103
|x 0276-7333
|7 nnns
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| 773 |
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|g volume:39
|g year:2020
|g number:1
|g day:13
|g month:01
|g pages:201-205
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|u http://dx.doi.org/10.1021/acs.organomet.9b00733
|3 Volltext
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