The Experts below are selected from a list of 309 Experts worldwide ranked by ideXlab platform

Arturo Espinosa Ferao - One of the best experts on this subject based on the ideXlab platform.

  • Comparative Computational Study on the Reaction of Chloroacetone with Trimethylphosphite: Perkow versus Michaelis-Arbuzov Reaction Paths.
    The journal of physical chemistry. A, 2017
    Co-Authors: Arturo Espinosa Ferao
    Abstract:

    Two competitive mechanistic pathways for the Reaction between trimethyl phosphite and chloroacetone are analyzed by high-level calculations. FMO analysis and HSAB-derived descriptors point to a preferential initial interaction of the nucleophile with the carbonyl group as electrophile. The Perkow Reaction starts by chelotropic addition of the P atom to the carbonyl C-O bond, which is the rate determining step in THF solution, yielding an oxaphosphirane intermediate. The oxaphosphirane undergoes sequential P-C bond cleavage with elimination of chloride ion and O-demethylation. The alternative Michaelis-Arbuzov Reaction involves nucleophilic displacement of chloride by the P atom and subsequent O-demethylation. The Perkow path is kinetically and thermodynamically favoured with respect to the Michaelis-Arbuzov path in the gas phase, but only kinetically preferred in polar (THF) solvents.

  • Comparative Computational Study on the Reaction of Chloroacetone with Trimethylphosphite: Perkow versus Michaelis–Arbuzov Reaction Paths
    2017
    Co-Authors: Arturo Espinosa Ferao
    Abstract:

    Two competitive mechanistic pathways for the Reaction between trimethyl phosphite and chloroacetone are analyzed by high-level calculations. FMO analysis and HSAB-derived descriptors point to a preferential initial interaction of the nucleophile with the carbonyl group as electrophile. The Perkow Reaction starts by chelotropic addition of the P atom to the carbonyl C–O bond, which is the rate-determining step in THF or CH2Cl2 solution, yielding an oxaphosphirane intermediate. The oxaphosphirane undergoes sequential P–C bond cleavage with elimination of chloride ion and O-demethylation. The alternative Michaelis–Arbuzov Reaction involves nucleophilic displacement of chloride by the P atom and subsequent O-demethylation. The Perkow path is kinetically and thermodynamically favored with respect to the Michaelis–Arbuzov path in the gas phase, but it is only kinetically preferred in polar (THF or CH2Cl2) solvents

Susumu Kobayashi - One of the best experts on this subject based on the ideXlab platform.

Libiao Han - One of the best experts on this subject based on the ideXlab platform.

  • alcohol based michaelis Arbuzov Reaction an efficient and environmentally benign method for c p o bond formation
    Green Chemistry, 2018
    Co-Authors: Xu Zhang, Hongen Cao, Libiao Han
    Abstract:

    The famous Michaelis–Arbuzov Reaction is extensively used both in the laboratory and industry to manufacture tons of widely-used organophosphoryl compounds every year. However, this method and the modified Michaelis–Arbuzov Reactions developed recently still have some limitations. We now report a new alcohol-version of the Michaelis–Arbuzov Reaction that can provide an efficient and environmentally-benign method to address the problems of the known Michaelis–Arbuzov Reactions. That is, a wide range of alcohols can readily react with phosphites, phosphonites, and phosphinites to give all the three kinds of phosphoryl compounds (phosphonates, phosphinates, and phosphine oxides) using an n-Bu4NI-catalyzed efficient C–P(O) bond formation Reaction. This general method can also be easily scaled up and used for further synthetic transformations in one pot.

Charles Mioskowski - One of the best experts on this subject based on the ideXlab platform.

Graham R. Evans - One of the best experts on this subject based on the ideXlab platform.