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The Mechanism of Copper‐Catalyzed Trifunctionalization of Terminal Allenes

https://doi.org/10.1002/chem.201900673

Kim, Hong Ki ; Mane, Manoj V. ; Montgomery, John ; Baik, Mu‐Hyun ( April 2019 , Chemistry – A European Journal)

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Experimental and Computational Study of the ( Z )-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C–H Coupling of Phenols with Ketones

https://doi.org/10.1021/jacs.8b05875

Lee, Hanbin ; Mane, Manoj V. ; Ryu, Ho ; Sahu, Debashis ; Baik, Mu-Hyun ; Yi, Chae S. ( July 2018 , Journal of the American Chemical Society)

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Divergent Pathways Involving 1,3‐Dipolar Addition and N−N Bond Splitting of an Organic Azide across a Zirconium Methylidene

https://doi.org/10.1002/anie.201711587

Kurogi, Takashi ; Mane, Manoj V. ; Zheng, Shuai ; Carroll, Patrick J. ; Baik, Mu‐Hyun ; Mindiola, Daniel J. ( January 2018 , Angewandte Chemie International Edition)

Abstract
The zirconium methylidene (PNP)Zr=CH₂(OAr) (1) reacts with N₃Ad to give two products (PNP)Zr=NAd(OAr) (2) and (PNP)Zr(η²‐N=NAd)(N=CH₂)(OAr) (3), both resulting from a common cycloaddition intermediate (PNP)Zr(CH₂N₃Ad)(OAr) (A). Using a series of control experiments in combination with DFT calculations, it was found that2results from a nitrene by a carbene metathesis reaction in which N₂acts as a delivery vehicle and forms N₂CH₂as a side product. In the case of3, N−N bond splitting of the azide at the α‐position allowed the isolation of a rare example of a parent ketimide complex of zirconium. Isotopic labeling studies and solid‐state X‐ray analysis are presented for2and3, in addition to an independent synthesis for the former.

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Divergent Pathways Involving 1,3‐Dipolar Addition and N−N Bond Splitting of an Organic Azide across a Zirconium Methylidene

https://doi.org/10.1002/ange.201711587

Kurogi, Takashi ; Mane, Manoj V. ; Zheng, Shuai ; Carroll, Patrick J. ; Baik, Mu‐Hyun ; Mindiola, Daniel J. ( January 2018 , Angewandte Chemie)

Abstract
The zirconium methylidene (PNP)Zr=CH₂(OAr) (1) reacts with N₃Ad to give two products (PNP)Zr=NAd(OAr) (2) and (PNP)Zr(η²‐N=NAd)(N=CH₂)(OAr) (3), both resulting from a common cycloaddition intermediate (PNP)Zr(CH₂N₃Ad)(OAr) (A). Using a series of control experiments in combination with DFT calculations, it was found that2results from a nitrene by a carbene metathesis reaction in which N₂acts as a delivery vehicle and forms N₂CH₂as a side product. In the case of3, N−N bond splitting of the azide at the α‐position allowed the isolation of a rare example of a parent ketimide complex of zirconium. Isotopic labeling studies and solid‐state X‐ray analysis are presented for2and3, in addition to an independent synthesis for the former.

more » « less