19th BMOS

The 19th Brazilian Meeting on Organic Synthesis (BMOS) in Bento Gonçalves, from September 23 to 27, 2024, brought together outstanding scientists from around the world to share their latest research in organic chemistry. David Macmillan, renowned for his work on organocatalysis, gave one of the most anticipated talks. The event also featured discussions on a…

New Publication: Synthesis and Analysis of (g,g’, g”, – Trifluoro)neopentyl (TFNP) Aryl Ethers as a Polar Aliphatic Motif

We’re excited to announce our recent publication in Chemistry—A European Journal, where we’ve collaborated with David O’Hagan’s lab to explore and develop (g,g’,g’’’’-trifluoro)neopentyl (TFNP) aryl ethers. This study brings together synthetic and computational expertise to shed light on these novel compounds. The synthetic route, expertly developed by the O’Hagan lab, involves reacting neopentyltosylate with phenols…

Autobench version 1.0

Autobench version 1.0 is offically realeased and can be downloaded at a dedicated page in our research group webpage: https://cormanich.iqm.unicamp.br/?page_id=1392 Please fill the Registration form at this page to download the software and Users Manual. Autobench V1.0 is patented and was published in Journal of Chemical Information and Modeling: https://doi.org/10.1021/acs.jcim.4c00250 Autobench is an advanced software…

New Publication Alert: Investigating Conformational Equilibria in Halogenated Cyclohexanes

We are excited to announce the publication of our latest research in the Journal of Organic Chemistry (JOC), where we delve into the conformational equilibria of selectively halogenated cyclohexanes using a combination of experimental and computational methods. In our study, we employed Variable Temperature Nuclear Magnetic Resonance (VT-NMR) experiments to investigate 1,1,4-trifluorocyclohexane 7 and conducted…

New Insights into SSCC Interpretation in Our Latest Paper in Chemical Communications

In our latest publication in Chemical Communications, we present a breakthrough in understanding spin-spin coupling constants (SSCC) in organofluorine compounds. Our study emphasizes the need for a nuanced approach to interpreting SSCC, shedding light on how substituent effects can significantly alter SSCC transmission mechanisms. This discovery challenges conventional wisdom and urges a reevaluation of current…

New Publication Alert! Exploring Unique Molecular Interactions in Organofluorine Compounds

We’re excited to share our latest research, a collaboration with Thomas Lectka, recently published in the Journal of Fluorine Chemistry. This study delves into the intriguing properties of a distinctive molecule that showcases a remarkable interaction between a CF2H group and a C-F group. While CF2H groups are recognized in medicinal chemistry as weak hydrogen…

New Collaborative Research Published on the Reduction of 2-X-cyclohexanones

We are delighted to announce the recent publication of our collaborative research titled “Stereoselectivity and reactivity of the sodium borohydride reduction of 2-X-cyclohexanones” Our research group delved into the stereoselectivity and reactivity of the sodium borohydride reduction of 2-X-cyclohexanones (X=H, Cl, Br). Combining competitive experiments with density functional theory calculations, we uncovered that the hydride…

Highlighting Novel Research: Unveiling the (β,β′,β″-trifluoro)-tert-butyl (TFTB) Group

We’re excited to share our latest research spotlight on the (β,β′,β″-trifluoro)-tert-butyl (TFTB) group, a molecule that has historically been overlooked in chemical literature. We owe a significant part of this research endeavor to our collaboration with the renowned David O’Hagan Lab. Working alongside such an esteemed team allowed for an amalgamation of expertise and innovative…

23rd ISFC

We had the pleasure of attending the 23rd International Symposium on Fluorine Chemistry (23rd ISFC) in the historic Québec City in Canadá! This gathering was nothing short of magnificent. After a delay due to the global pandemic, the joint conference finally took place between July 23 and 28. The 23rd ISFC showcased a plethora of…