Index Catalog // ScholarsArchive@OSU

Start Over

Filtering by: Creator Johnson, Dexter W. Academic Affiliation Chemistry Creator Mustard, Thomas J. L.

Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies

Creator:

Gould, Eoin, Walden, Daniel M., Kasten, Kevin, Johnston, Ryne C., Wu, Jiufeng, Slawin, Alexandra M., Mustard, Thomas J. L., Johnston, Brittany, Davies, Tony, Cheong, Paul Ha-Yeon, and Smith, Andrew D.

Abstract:

The regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates is described, with DMAP giving preferential N-carboxylation and triazolinylidenes promoting selective C-carboxylation (both with up to >99 : 1 regioselectivity). An enantioselective O- to C-carboxyl variant using NHC catalysis is demonstrated (up to 92% ee), while mechanistic and DFT studies outline...

Resource Type:

Article

Full Text:

- gramme (FP7/2007-2013) / ERC grant agreement n� 279850. Notes and references 1 (a) W. Steglich and G
Computational Investigations of Transition Metal Catalyses and Amorphous Metal Oxides : Accelerating Scientific Discovery Through Automation

Creator:

Mustard, Thomas J. L.

Abstract:

Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...

Resource Type:

Dissertation

Full Text:

thank Ryne Johnson, Lindsay Wills, Ommidala Pattawong and Maduka Ogba for all the beers, cheers, and