Publication

Alkynylation of Thiols with Ethynylbenziodoxolone (EBX) Reagents: alpha- or beta- pi-Addition?

Jérôme Waser, Matthew Wodrich, Paola Caramenti
2016
Journal Articles

Abstract

The alkynylation of thiols with EthynylBenziodoXolone (EBX) reagents is a fast and chemoselective method for the synthesis of thioalkynes. Combined experimental and computational studies are reported, which led to the identification of a new mechanism for this reaction, proceeding via an initial sulfur iodine interaction followed by beta-addition, alpha-elimination, and a 1,2-shift. Depending on the substituent on the alkyne, this mechanism can be favored over the previously disclosed concerted alpha-addition rti pathway.

Official source

https://infoscience.epfl.ch/entities/publication/e333adc4-96fd-44d4-b42f-f2133df95074

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Jérôme Waser, Matthew Wodrich, Paola Caramenti
2016
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/e333adc4-96fd-44d4-b42f-f2133df95074

About this result

Related concepts (13)

Beta decay

In nuclear physics, beta decay (β-decay) is a type of radioactive decay in which an atomic nucleus emits a beta particle (fast energetic electron or positron), transforming into an isobar of that nuclide. For example, beta decay of a neutron transforms it into a proton by the emission of an electron accompanied by an antineutrino; or, conversely a proton is converted into a neutron by the emission of a positron with a neutrino in so-called positron emission.

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Alpha particles, also called alpha rays or alpha radiation, consist of two protons and two neutrons bound together into a particle identical to a helium-4 nucleus. They are generally produced in the process of alpha decay, but may also be produced in other ways. Alpha particles are named after the first letter in the Greek alphabet, α. The symbol for the alpha particle is α or α2+. Because they are identical to helium nuclei, they are also sometimes written as He2+ or 42He2+ indicating a helium ion with a +2 charge (missing its two electrons).

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Computational physics is the study and implementation of numerical analysis to solve problems in physics. Historically, computational physics was the first application of modern computers in science, and is now a subset of computational science. It is sometimes regarded as a subdiscipline (or offshoot) of theoretical physics, but others consider it an intermediate branch between theoretical and experimental physics - an area of study which supplements both theory and experiment.

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