65. Zhao, C.; Besset, T.; Legault, C. Y.*; Jubault, P.* “Experimental and Computational Studies for the Synthesis of Functionalized Cyclopropanes from α-Substituted Allylic Derivatives with Ethyl Diazoacetate” Chem. Eur. J. 2024, 30, e202303070.

64. Robidas, R.; Legault, C. Y.* “How to obtain accurate results with molecular iodine and density functional theory” Int. J. Quantum Chem. 2024, 124, e27277.


63. Schneider, Y.; Jadhav, A. P.; Legault, C. Y.* “Synthesis of Indoles Using the Electrophilic Potential of Diazirines” J. Org. Chem. 2023, 88, 14809-14819.

62. Nguyen, T. M.; Legault, C. Y.*; Blanchard, N.; Bizet, V.*; Cahard, D.* “Tracking SF5I in the Iodopentafluorosulfanylation of Alkynes” Chem. Eur. J. 2023, 29, e202302914.

61. Robidas, R.; Legault, C. Y.* “Gold(I)-mediated Isomerization of Spring-loaded 1,7-Enynes seen through the Lens of Density Functional Theory” Chem. Eur. J. 2023, 29, e202301510.

60. Spino, C.*; Latil, M.; Lessard, R.; Frevre-Renault, Q.; Legault, C. Y. “N-Oxides as Control Element for the Direction of a Sigmatropic Rearrangement. Application as a Switch for Fluorescence” Chem. Eur. J. 2023, 29, e202301356.

59. Charron-Lamoureux, V.*; Haroune, L.; Pomerleau, M.; Hall, L.; Orban, F.; Leroux, J.; Rizzi, A.; Bourassa, J.-F.; Fontaine, N.; d’Astous, E. V.; Dauphin-Ducharme, P.; Legault, C. Y.; Bellenger, J.-P.; Beauregard, P.* “Pulcherriminic acid modulates iron availability and protects against oxidative stress during microbial interactions” Nature Communications 2023, 14, 2536.

58. Lussier, T.; Legault, C. Y.* “Iodine(III)-Mediated Enantioselective Oxidative Contraction of Dihydropyranones” Org. Lett. 2023, 25, 2825-2829.

57. Robidas, R.; Legault, C. Y.* “Direct π-Activation vs. O-Activation in Halogen-Bonding Catalysis” Angew. Chem. Int. Ed. 2023, 62, e202301190. (VIP Paper)

56. Robidas, R.; Reinhard, D. L.; Huber, S. M.*; Legault, C. Y.* “A Quantum-chemical Analysis on the Lewis Acidity of Diarylhalonium Ions” ChemPhysChem 2023, 24, e202200634.


55. Grenet, E.; Robidas, R.; van der Lee, A.; Legault, C. Y.*; Salom-Roig, X. J.* “Mechanistic Insights into Lewis Acid-Controlled Torquoselective Nazarov Cyclization of Activated Dienones Bearing a Chiral Sulfoxide” Eur. J. Org. Chem. 2022, 36, e202200828.

54. Baillargeon, P.*; Robidas, R.; Tougas, O.; Michaud, Z.; Legault, C. Y.; Rahem, T.  “Crystal Structures of Lignocellulosic Furfuryl Biobased Polydiacetylenes with Hydrogen-Bond Networks: Influencing the Direction of Solid-State Polymerization through Modification of the Spacer Length” Cryst. Growth Des. 2022, 22, 2812-2823.

53. Robidas, R.*; Legault, C. Y.* “CalcUS: An Open-Source Quantum Chemistry Web Platform” J. Chem. Inf. Model. 2022, 62, 1147-1153.


52. Robidas, R.; Huber, S. M.*; Legault, C. Y.* “Computational Investigation of Cyclic Substituted Iodine(III) Halogen Bond Donors” Arkivoc 2021, 2021, 128-140. (Invited contribution)

51. Robidas, R.; Legault, C. Y.* “Cyclic Haloiodanes: Syntheses, Applications and Fundamental Studies” Helv. Chem. Acta 2021, 104, e2100111. (Invited contribution)

50. Clement, H. A.; Estaitie, M.; Kim, Y.-R.; Hall, D. G.*; Legault, C. Y.* “Mechanism of the Palladium-Catalyzed Asymmetric Borylative Migration of Enol Perfluorosulfonates: Insights into an Enantiofacial-Selective Transmetalation” ACS Catalysis 2021, 11, 8902-8914. 

49. Robidas, R.; Reinhard, D. L.; Legault, C. Y.*; Huber, S. M.* “Iodine(III)-Based Halogen Bond Donors: Properties and Applications” Chem. Rec. 2021, 21, 1912-1927. (Invited Contribution)

48. Pace, D. P.; Robidas, R.; Tran, U. P. N.; Legault C. Y.*; Nguyen, T. V.* “Iodine-Catalyzed Synthesis of Substituted Furans and Pyrans: Reaction Scope and Mechanistic Insights” J. Org. Chem. 2021, 86, 8154-8171.

47. Guérin, V.; Legault, C. Y.* “Synthesis of NHC-Iridium(III) Complexes Based on N-Iminoimidazolium Ylides and Their Use for the Amine Alkylation by Borrowing Hydrogen Catalysis” Organometallics 2021, 40, 408-417. (ACS Editors Choice / Front Cover of issue / Top 20 of most read articles of 2021)

46. Robidas, R.*; Legault, C. Y.; Huber, S. M. “A low cost, high accuracy method for halogen bonding complexes” Phys. Chem. Chem. Phys. 2021, 23, 3041-3049.

45. Wasfy, N.; Rasheed, F.; Robidas, R.; Hunter, I.; Shi, J.; Doan, B.; Legault, C. Y.*; Fishlock, D.; Orellana, A.* “Pyridylic anions are soft nucleophiles in the palladium-catalyzed C(sp3)-H allylation of 4-alkylpyridines” Chem. Sci. 2021, 12, 1503-1512.


44. Baillargeon, P.*; Robidas, R.; Legault, C. Y.; Rahem, T.; Paré Fouapon, A.; Boivin, S.-M. “Rapid Access to Polychlorodiacetylene Single Crystals through H‐Bond Templating and Computations on Helical PDA Oligomers” Crystal Growth Des. 2020, 20, 5648-5656.

43. Wolf, J.; Huber, F.; Erochok, N.; Heinen, F.; Guérin, V.; Legault, C. Y.*; Kirsch, S. F.*; Huber, S. M.* “Activation of a metal-halogen bond by halogen bonding” Angew. Chem. Int. Ed. 2020, 59, 16496-16500. 

42. Mayer, R. J.*; Ofial, A. R.; Mayr, H.; Legault, C. Y.* “Lewis Acidity Scale of Diaryliodonium Ions toward Oxygen, Nitrogen, and Halogen Lewis Bases” J. Am. Chem. Soc. 2020, 142, 5221-5233.


41. Zhao, Z.; Ma, K. C. Y.; Legault, C. Y.*; Murphy, G. K.* “Denitrogenative Hydrotrifluoromethylation of Benzaldehyde Hydrazones: Synthesis of (2,2,2‐Trifluoroethyl)arenes” Chem. Eur. J. 2019, 25, 11240-11245.

40. Dagenais, R.; Lussier, T.; Legault, C. Y.* “Iodine(III)-Mediated Contraction of 3,4-Dihydropyranones: Access to Polysubstituted γ-Butyrolactones” Org. Lett. 2019, 21, 5290-5294.

39. Guérin, V.; Ménard, A.; Guernon, H.; Moutounet, O.; Legault, C. Y.* “From Chelating to Bridging Ligands: N-Sulfonyliminoimidazolium Ylides as Precursors to Anionic N-Heterocyclic Carbene Ligands” Organometallics 2019, 38, 409-416.


38. Nikolaev, A.; Legault, C. Y.; Zhang, M.; Orellana, A.* “The Acid-Free Cyclpropanol-Minisci Reaction Reveals the Catalytic Role of Silver-Pyridine Complexes” Org. Lett. 2018, 20, 796-799.


37. Robidas, R.; Guérin, V.; Provençal, L.; Echeverria, M.; Legault, C. Y.* “Investigation of Iodonium Trifluoroborate Zwitterions as Bifunctional Arene Reagents” Org. Lett. 2017, 19, 6420-6423. (Highlighted in Synfacts 2018, 14, 145)

36. Labattut, A.; Tremblay, P.-L.; Moutounet, O.; Legault, C. Y.* “Experimental and Theoretical Quantification of the Lewis Acidity of Iodine(III) Species” J. Org. Chem. 2017, 82, 11891-11896. (Invited contribution) (Top 20 of most read articles, August 2017)

35. Dagenais, R.; Jobin-Des Lauriers, A.; Legault, C. Y.* “Iodine(III)-Mediated Oxidative Hydrolysis of Haloalkenes: Investigation of the Effect of Iodine(III) Reagents” Synthesis 2017, 2928-2932. (Invited contribution)

34. Cocaud, C.; Nicolas, C.; Poisson, T.; Pannecoucke, X.; Legault, C. Y.*; Martin, O.* “A Tunable Approach for the Stereoselective Synthesis of 1-C-Diethylphosphono(difluoromethyl) Iminosugars as Glycosyl Phosphate Mimics” J. Org. Chem. 2017, 82, 2753-2763.

33. Basdevant, B.; Guilbault, A.-A.; Beaulieu, S.; Jobin-Des Lauriers, A.; Legault, C. Y.* “Iodine(III)-mediated synthesis of chiral α-substituted ketones: recent advances and mechanistic insights” Pure Appl. Chem. 2017, 89, 781-789. (Invited contribution)


32. Jobin-Des Lauriers, A.; Legault, C. Y.* “Enol and Ynol Surrogates: Promising Substrates for Hypervalent Iodine Chemistry” Asian J. Org. Chem. 2016, 5, 1078-1099. (Invited contribution)

31. Jobin-Des Lauriers, A.; Legault, C. Y.* “Iodine(III)-mediated Oxidative Hydrolysis of Haloalkenes : Access to α-Halo Ketones by a Release-and-Catch Mechanism” Org. Lett. 2016, 18, 108-111.


30. Jobin-Des Lauriers, A.; Legault, C. Y.* “Metathetical Redox Reaction of (Diacetoxyiodo)arenes and Iodoarenes” Molecules 2015, 20, 22635-22644. (Feature article (Invited) to special issue on Hypervalent Iodine Chemistry)

29. Basdevant, B.; Legault, C. Y.* “Enantioselective Iodine(III)-Mediated Synthesis of α-Tosyloxy Ketones: Breaking the Selectivity Barrier” Org. Lett. 2015, 17, 4918-4921.

28. Beaulieu, S.; Legault, C. Y.* “Mechanistic Insights on the Iodine(III)-Mediated α-Oxidation of Ketones” Chem. Eur. J. 2015, 21, 11206-11211.

27. Basdevant, B.; Legault, C. Y.* “Study of the Reactivity of [Hydroxy(tosyloxy)iodo]benzene Toward Enol Esters to Access α‐Tosyloxy Ketones” J. Org. Chem. 2015, 80, 6897–6902.

26. Langdon, S. M.; Legault, C. Y.*; Gravel, M.* “Origin of Chemoselectivity in N-Heterocyclic Carbene-Catalyzed Cross-Benzoin Reactions: DFT and Experimental Insights” J. Org. Chem. 2015, 80, 3597-3610. 

25. Petiot, P.; Dansereau, J.; Hébert, M.; Khene, I.; Ahmad, T.; Samaali, S.; Leroy, M.; Pinsonneault, F.; Legault, C. Y.*, Gagnon, A.* “Copper-Catalyzed O-Arylation of N-Protected 1,2-Aminoalcohols Using Functionalized Trivalent Organobismuth Reagents” Organic & Biomolecular Chemistry 2015, 13, 1322-1327. 

24. Champagne, P. A.; Drouin, M.; Legault, C. Y.; Audubert, C.; Paquin, J.-F.* “Revised Mechanistic Explanation for the Alcohol-Promoted Amination of Benzylic Fluorides under Highly Concentrated Conditions: Computational and Experimental Evidence on a Model Substrate” Journal of Fluorine Chemistry 2015, 117, 113-119.


23. Schneider, Y.; Prévost, J.; Gobin, M.; Legault, C. Y.* “Diazirines as Potent Electrophilic Nitrogen Sources: Application to the Synthesis of Pyrazoles” Org. Lett. 2014, 16, 596–599. (Highlighted in Synfacts 2014, 10, 418)

22. Ba, S.; Haroune, L.; Cruz-Morato, C.; Jacquet, C.; Touahar, I. E.; Bellenger, J.-P.; Legault, C. Y.; Jones, P. J.; Cabana, H.* “Enzymatic transformation of acetaminophen from municipal and hospital wastewaters using combined cross-linked laccase and tyrosinase aggregates” Science of the Total Environment 2014, 487, 748-755.

21. Haroune, L.; Salaun, M.; Ménard, A.; Legault, C. Y.; Bellenger, J.-P.* “Photocatalytic degradation of carbamazepine and three derivatives using TiO2 and ZnO: effect of pH, ionic strength and natural organic matter” Science of the Total Environment 2014, 475, 16-22.


20. Thérien, M.-E.; Guilbault, A.-A.; Legault, C. Y.* “New Chiral Iodooxazolines Catalysts for the I(III)-mediated α-Tosyloxylation of Ketones : Refining the Stereoinduction Model” Tetrahedron: Asymmetry 2013, 24, 1193-1197.

19. Champagne, P. A.; Pomarole, J.; Thérien, M.-E.; Benhassine, Y.; Beaulieu, S.; Legault, C. Y.; Paquin, J.-F.* “Enabling Nucleophilic Substitution Reaction of Activated Alkyl Fluorides Through Hydrogen-Bonding” Org. Lett. 2013, 15, 2210-2213.

18. Guernon, H.; Legault, C. Y.* “N-Acyliminoimidazolium Ylides as Precursors to Anionic N-Heterocyclic Carbene Ligands: Control of Topology and Reactivity” Organometallics 2013, 32, 1988-1994.


17. Guilbault, A.-A.; Basdevant, B.; Wanie, V.; Legault, C. Y.* “Catalytic α-Tosyloxylation of Ketones using Iodoaryloxazoline Catalysts: Insights on the Stereoinduction Process” J. Org. Chem. 2012, 77, 11283-11295.

16. Ducharme, V.*; Égli, R.; Legault, C. Y.* “Energy-based Artificial Chemistry Simulator” In Artificial Life 13; Adami, C., Bryson, D. M., Ofria, C., Pennock, R. T., Eds.; MIT Press: Cambridge, 2012; 449-456.

15. Beaumier, F.; Dupuis, M.; Spino, C.*; Legault, C. Y.* “Formal Intramolecular (4+1)-Cycloaddition of Dialkoxycarbenes : Control of the Stereoselectivity and a Mechanistic Portrait” J. Am. Chem. Soc. 2012, 134, 5938-5953. (Top 20 of most read articles, March 2012)

14. Legault, C. Y.*; Prévost, J. “1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ3-benzo[d][1,2]iodoxole” Acta Cryst. 2012, E68, o1238.

13. Guilbault, A.-A.; Legault, C. Y.* “Drastic Enhancement of Activity in Iodane-Based α-Tosyloxylation of Ketones: Iodine(III) Does the Hypervalent Twist” ACS Catalysis 2012, 2, 219-222.


12. Cheong, P. H.-Y.; Legault, C. Y.; Um, J. M.; Celebi-Olcum, N.; Houk, K. N.* “Quantum Mechanical Investigations of Organocatalysis: Mechanisms, Reactivities and Selectivities” Chem. Rev. 2011, 111, 5042-5137.

11. Garcia, Y.; Schoenebeck, F.; Legault, C. Y.; Merlic, C. A.; Houk, K. N. “Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions.” J. Am. Chem. Soc. 2009, 131, 6632-6639. 

Travaux antérieurs/Previous work

10. Yu, Z.-X.; Cheong, P. H.-Y.; Liu, P.; Legault, C. Y.; Wender, P. A.; Houk, K. N. “Origins of Differences in Reactivities of Alkenes, Alkynes, and Allenes in [Rh(CO)2Cl]2-Catalyzed (5+2) Cycloaddition Reactions with Vinylcyclopropanes” J. Am. Chem. Soc. 2008, 130, 2378-2379.

9. Legault, C. Y.; Charette, A. B.; Cozzi, P. G. “Iridium Catalyzed Enantioselective Hydrogenation of N-Iminopyridinium Ylides: Mechanistic Insights” Heterocycles 2008, 76, 1271-1283.

8. Legault, C. Y.; Garcia, Y.; Merlic, C. A.; Houk, K. N. “Origin of Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions of Polyhalogenated Heterocycles” J. Am. Chem. Soc. 2007, 129, 12664-12665.

7. Legault, C. Y.; Kendall, C.; Charette, A. B. “Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex” Chem. Commun. 2005, 3826-3828.

6. Legault, C. Y.; Charette, A. B. “Catalytic Asymmetric Hydrogenation of N-Iminopyridinium Ylides: Expedient Approach to Enantioenriched Substituted Piperidine Derivatives” J. Am. Chem. Soc. 2005, 127, 8966-8967.

5. Charette, A. B.; Boezio, A. A.; Côté, A.; Moreau, E.; Pytkowicz, J.; Desrosiers, J.-N.; Legault, C. “Asymmetric Catalytic Addition of Diorganozinc Reagents to Imines: Scope and Application” Pure and Applied Chemistry 2005, 77, 1259-1267.

4. Charette, A. B.; Legault, C.; Bélanger-Gariépy, F. “3,3-Pentamethylenediaziridine” Acta Cryst. 2004, E60, o1921-o1922. (Cover illustration of the issue and highlight in IUCr Newsletter 2004, 12, 7)

3. Legault, C.; Charette, A. B. “Efficient Synthesis of O-(2,4-Dinitrophenyl)hydroxylamine. Application to the Synthesis of Substituted N-Benzoyliminopyridinium Ylides” J. Org. Chem. 2003, 69, 7119-7122.

2. Legault, C.; Charette, A. B. “Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines” J. Am. Chem. Soc. 2003, 125, 6360-6361.

1. Faucher, A.-M.; Brochu, C.; Landry, S. R.; Duchesne, I.; Hantos, S.; Roy, A.; Myles, A.; Legault, C. “Chelation-Controlled Reduction of α- and β-Oxygenated Ketones with Lithium tri-n-Butylborohydride” Tetrahedron Lett. 1998, 39, 8425-8428.

Contributions e-EROS/e-EROS Chapters

3. Schneider, Y.; Legault, C. Y. “Spiro[3H-diazirine-3,2′- tricyclo[]decane]” In Electronic Encyclopedia of Reagents for Organic Synthesis (e-EROS); Paquette, L. A.; Crich, D; Charette, A. B.; Fuchs, P. L.; Molander, G. A. (Eds.); Wiley: Chichester, 2015.

2. Meunier, A.; Legault, C. Y. “Manganese(III) acetate” In Electronic Encyclopedia of Reagents for Organic Synthesis (e-EROS); Paquette, L. A.; Crich, D; Charette, A. B.; Fuchs, P. L.; Molander, G. A. (Eds.); Wiley: Chichester, 2011.

1. Legault, C. Y. “N-(Benzoylimino)pyridinium betaine” In Electronic Encyclopedia of Reagents for Organic Synthesis (e-EROS); Paquette, L. A.; Crich, D; Charette, A. B.; Fuchs, P. L.; Molander, G. A. (Eds.); Wiley: Chichester, 2010.

Prof. Claude Y. Legault
Université de Sherbrooke
Département de Chimie
2500 boul. de l’Université, D1-3029
Sherbrooke (QC), J1K 2R1