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A Hydroperoxide Method for 3,4-Xylenol Synthesis

Kurganova, E. A. / Frolov, A. S. / Koshel’, G. N. / Nesterova, T. N. / Shakun, V. A. / Mazurin, O. A.

Abstract The aerobic oxidation reaction of 1,2-dimethyl-4-isopropylbenzene to a hydroperoxide in the presence of N-hydroxyphthalimide and its derivatives has been studied. It has been found that up to a hydrocarbon (HC) conversion of 25–30%, the selectivity for the tertiary hydroperoxide of 1,2-dimethyl-4-isopropylbenzene is over 90–95%. A method for assessing the catalytic activity of phthalimide compounds in liquid-phase oxidation reactions of 1,2-dimethyl-4-isopropylbenzene with the use of quantum-chemically calculated values for the energies of singly occupied molecular orbitals (ΔЕ SOMO) has been proposed.

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A Hydroperoxide Method for 3,4-Xylenol Synthesis

Kurganova, E. A. / Frolov, A. S. / Koshel’, G. N. / Nesterova, T. N. / Shakun, V. A. / Mazurin, O. A.

Abstract The aerobic oxidation reaction of 1,2-dimethyl-4-isopropylbenzene to a hydroperoxide in the presence of N-hydroxyphthalimide and its derivatives has been studied. It has been found that up to a hydrocarbon (HC) conversion of 25–30%, the selectivity for the tertiary hydroperoxide of 1,2-dimethyl-4-isopropylbenzene is over 90–95%. A method for assessing the catalytic activity of phthalimide compounds in liquid-phase oxidation reactions of 1,2-dimethyl-4-isopropylbenzene with the use of quantum-chemically calculated values for the energies of singly occupied molecular orbitals (ΔЕ SOMO) has been proposed.

A Hydroperoxide Method for 3,4-Xylenol Synthesis

Kurganova, E. A. / Frolov, A. S. / Koshel’, G. N. / Nesterova, T. N. / Shakun, V. A. / Mazurin, O. A.

Abstract The aerobic oxidation reaction of 1,2-dimethyl-4-isopropylbenzene to a hydroperoxide in the presence of N-hydroxyphthalimide and its derivatives has been studied. It has been found that up to a hydrocarbon (HC) conversion of 25–30%, the selectivity for the tertiary hydroperoxide of 1,2-dimethyl-4-isopropylbenzene is over 90–95%. A method for assessing the catalytic activity of phthalimide compounds in liquid-phase oxidation reactions of 1,2-dimethyl-4-isopropylbenzene with the use of quantum-chemically calculated values for the energies of singly occupied molecular orbitals (ΔЕ SOMO) has been proposed.

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Title:

A Hydroperoxide Method for 3,4-Xylenol Synthesis

Contributors:

Kurganova, E. A. (author) / Frolov, A. S. (author) / Koshel’, G. N. (author) / Nesterova, T. N. (author) / Shakun, V. A. (author) / Mazurin, O. A. (author)

Published in:

Petroleum Chemistry ; 58 ; 451-456

Publication date:

2018-05-01

Size:

6 pages

ISSN:

1555-6239 , 0965-5441

DOI:

https://doi.org/10.1134/S0965544118050092

Type of media:

Article (Journal)

Type of material:

Electronic Resource

Language:

English

Keywords:

N-hydroxyphthalimide , hydroperoxide , oxidation , 3,4-xylenol , 1,2-dimethyl-4-isopropylbenzene Chemistry , Industrial Chemistry/Chemical Engineering

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