研究领域

Synthesis/Theoretical

We investigate organic structure and reactivity using both experimental and computational methods, and we use chemical informatics to maximize the knowledge we can find in the results. Analysing reaction mechanisms We use computational methods to investigate the mechanisms of reactions, including enzyme-catalysed processes,[1] and to design new reagents. For example, binaphthol-like ligands are extremely important, but which enantiomer of the reagent produces which product?[2] Solubility measurement and data analysis We measure solubility to high accuracy using a potentiometric method. This has enabled us to construct a very accurate database, which has been used to run an international competition for solubility analysis and prediction,[3] and which is currently being extended. This work involves the synthesis and experimental analysis of drug-like molecules.

近期论文

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Mechanistic insights into a BINOL-derived phosphoric acid-catalyzed asymmetric Pictet-Spengler reaction L. M. Overvoorde, M. N. Grayson, Y. Luo and J. M. Goodman J. Org. Chem. Article ASAP DOI: 10.1021/jo5028134 Asymmetric Boronate Addition to o-Quinone Methides: Ligand Exchange, Solvent Effects and Lewis Acid Catalysis M. N. Grayson and J. M. Goodman J. Org. Chem. 2015, 80, 2056-2061. DOI: 10.1021/jo502616a The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion I. V. Komarov, S. Yanik, A. Y. Ishchenko, J. E. Davies, J. M. Goodman and A. J. Kirby J. Am. Chem. Soc. 2015, 137, 926-930. DOI: 10.1021/ja511460a Base-Mediated Cascade Rearrangements of Aryl-Substituted Diallyl Ethers J. P. Reid, C. A. McAdam, Adam J. S. Johnston, M. N. Grayson, J. M. Goodman, and M. J. Cook J. Org. Chem. 2015, 80, 1472-1498. DOI: 10.1021/jo502403n Defining Molecular Initiating Events in the Adverse Outcome Pathway Framework for Risk Assessment T. E. H Allen, J. M. Goodman, S. Gutsell and P. J. Russell Chemical Research in Toxicology 2014, 27, 2100-2112. DOI: 10.1021/tx500345j Synthesis of 2,3-O-benzyl-ribose and xylose and their equilibration R. Jeffrey, G. Singh, P. G. J. Plaza-Alexander, N. Singh, J. M. Goodman, A. Bacchi, F. Punzo Tetrahedron Asymmetry 2014, 25, 1424–1429. DOI: 10.1016/j.tetasy.2014.09.004 The intrinsic aqueous solubility of indomethacin J. Comer, S. Judge, D. Matthews, L. Towes, B. Falcone, J. Goodman and J. Dearden ADMET & DMPK 2014, 2, 18-32. DOI: 10.5599/admet.2.1.33 International chemical identifier for reactions (RInChI) G. Grethe, J. M. Goodman and C. H. G. Allen Journal of Cheminformatics 2013, 5, 45. DOI: 10.1186/1758-2946-5-45 Reversal of facial selectivity in a thia-Claisen rearrangement by incorporation of a vinylic bromine substituent A. R. Ellwood, A. J. Price Mortimer, J. M. Goodman and M. J. Porter Org. Biomol. Chem. 2013, 11, 7530-7539. DOI: 10.1039/C3OB41580E Lewis Acid Catalysis and Ligand Exchange in the Asymmetric Binaphthol-Catalyzed Propargylation of Ketones M. N. Grayson and J. M. Goodman J. Org. Chem. 2013, 78, 8796–8801. DOI: 10.1021/jo401611q Understanding the Mechanism of the Asymmetric Propargylation of Aldehydes Promoted by BINOL-Derived Catalysts M. N. Grayson and J. M. Goodman J. Am. Chem. Soc. 2013, 135, 6142-6148. DOI: 10.1021/ja3122137 Organocatalytic Domino Reaction of Cyanosulfones: Access to Complex Cyclohexane Systems with Quaternary Carbon Centers S. Rajkumar, K. Shankland, J. M. Goodman, and A. J. A. Cobb Org. Lett. 2013, 15, 1386-1389. DOI: 10.1021/ol400356k The formation of high-purity isocyanurate through proazaphosphatrane-catalysed isocyanate cyclo-trimerisation: computational insights J. N. Gibb and J. M. Goodman Org. Biomol. Chem. 2013, 11, 90-97. DOI: 10.1039/C2OB26547H The mechanism of the amination of β-keto esters by azadicarboxylates catalyzed by an axially chiral guanidine: acyclic keto esters react through an E enolate. L. Simon and J. M. Goodman J. Am. Chem. Soc. 2012, 134, 16869-16876. DOI: 10.1021/ja307712y In Silico Inspired Total Synthesis of (-)-Dolabriferol R. H. Currie and J. M. Goodman Angew. Chem. 2012, 51, 4695-4697. DOI: 10.1002/anie.201109080 Computational Chemistry Highlights 1,3-Dipolar cycloaddition of nitrones with phenylvinyl sulfone. An experimental and theoretical study M. Flores, P. Garcia, N. M. Garrido, C. T. Nieto, P. Basabe, I. S. Marcos, F. Sanz-Gonzalez, J. M. Goodman, and D. Diez Tetrahedron Asymmetry 2012, 23, 76-85. DOI: 10.1016/j.tetasy.2012.01.006 The molecular basis for selective inhibition of unconventional mRNA splicing by an IRE1-binding small molecule B. C. S. Cross, P. J. Bond, P. G. Sadowski, B. K. Jhad, J. Zak, J. M. Goodman, R. H. Silverman, T. A. Neubert, I. R. Baxendale, D. Ron, and H. P. Harding PNAS 2012, 109, E869-E878. DOI: 10.1073/pnas.1115623109 Mechanistic Insights into the BINOL-Derived Phosphoric Acid-Catalyzed Asymmetric Allylboration of Aldehydes M. N. Grayson, S. C. Pellegrinet and J. M. Goodman J. Am. Chem. Soc. 2012, 134, 2716-2722. DOI: 10.1021/ja210200d JACS Image Challenge Hydrogen-bond stabilization in oxyanion holes: grand jete to three dimensions L. Simon and J. M. Goodman Org. Biomol. Chem. 2012, 10, 1905-1913. DOI: 10.1039/C2OB06717J Structure-Activity Studies of the Pelorusides: New Congeners and Semi-Synthetic Analogues A. J. Singh, P. T. Northcote, P. Teesdale-Spittle, J. H. Miller, I. Paterson, M. Razzak, J. M. Goodman, A. Wilmes and T. N. Gaitanos Org. Biomol. Chem. 2011, 9, 4456-4466. DOI: 10.1039/C0OB01127D A Model for the Enantioselectivity of Imine Reactions Catalyzed by BINOL-Phosphoric Acid Catalysts L. Simon and J. M. Goodman J. Org. Chem. 2011, 76, 1775-1788. DOI: 10.1021/jo102410r