Comparative characterization of thermal isomerization rates of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane at convection and microwave heating

Tatiana A. Kornilova, Rafael R. Kostikov, Alexander F. Khlebnikov, Igor G. Zenkevich

Research outputpeer-review

1 Citation (Scopus)

Abstract

Rate constants of thermal isomerization of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane into 1-(benzyl)-4,5-dihydro-1H-pyrazole at convection and microwave heating in toluene and chlorobenzene (solvents) were determined within the temperature range 90°C to 120°S. These data were used for the calculation of activation parameters of isomerization. It is shown that microwave heating increases the rate constants at the same temperature by a factor of 2 to 2.5 as compared with those using convection heating. The reason is that the effective temperature of microwave heating exceeds that of convection heating by 6°C to 9°S in toluene and by 12°C to 20°S in chlorobenzene as solvent.

Original languageEnglish
Article numbere3843
JournalJournal of Physical Organic Chemistry
Volume31
Issue number7
DOIs
Publication statusPublished - 2018

Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry

Cite this

@article{2e8c0d7495ad4310aed1fc60002c1b23,
title = "Comparative characterization of thermal isomerization rates of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane at convection and microwave heating",
abstract = "Rate constants of thermal isomerization of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane into 1-(benzyl)-4,5-dihydro-1H-pyrazole at convection and microwave heating in toluene and chlorobenzene (solvents) were determined within the temperature range 90°C to 120°S. These data were used for the calculation of activation parameters of isomerization. It is shown that microwave heating increases the rate constants at the same temperature by a factor of 2 to 2.5 as compared with those using convection heating. The reason is that the effective temperature of microwave heating exceeds that of convection heating by 6°C to 9°S in toluene and by 12°C to 20°S in chlorobenzene as solvent.",
keywords = "1-(benzyl)-4,5-dihydro-1H-pyrazole, 6-phenyl-1,5-diazabicyclo[3.1.0]hexane, Activation parameters, Convection and microwave heating, Rate constants, Thermal isomerization",
author = "Kornilova, {Tatiana A.} and Kostikov, {Rafael R.} and Khlebnikov, {Alexander F.} and Zenkevich, {Igor G.}",
year = "2018",
doi = "10.1002/poc.3843",
language = "English",
volume = "31",
journal = "Journal of Physical Organic Chemistry",
issn = "0894-3230",
publisher = "Wiley-Blackwell",
number = "7",

}

TY - JOUR

T1 - Comparative characterization of thermal isomerization rates of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane at convection and microwave heating

AU - Kornilova, Tatiana A.

AU - Kostikov, Rafael R.

AU - Khlebnikov, Alexander F.

AU - Zenkevich, Igor G.

PY - 2018

Y1 - 2018

N2 - Rate constants of thermal isomerization of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane into 1-(benzyl)-4,5-dihydro-1H-pyrazole at convection and microwave heating in toluene and chlorobenzene (solvents) were determined within the temperature range 90°C to 120°S. These data were used for the calculation of activation parameters of isomerization. It is shown that microwave heating increases the rate constants at the same temperature by a factor of 2 to 2.5 as compared with those using convection heating. The reason is that the effective temperature of microwave heating exceeds that of convection heating by 6°C to 9°S in toluene and by 12°C to 20°S in chlorobenzene as solvent.

AB - Rate constants of thermal isomerization of 6-phenyl-1,5-diazabicyclo[3.1.0]hexane into 1-(benzyl)-4,5-dihydro-1H-pyrazole at convection and microwave heating in toluene and chlorobenzene (solvents) were determined within the temperature range 90°C to 120°S. These data were used for the calculation of activation parameters of isomerization. It is shown that microwave heating increases the rate constants at the same temperature by a factor of 2 to 2.5 as compared with those using convection heating. The reason is that the effective temperature of microwave heating exceeds that of convection heating by 6°C to 9°S in toluene and by 12°C to 20°S in chlorobenzene as solvent.

KW - 1-(benzyl)-4,5-dihydro-1H-pyrazole

KW - 6-phenyl-1,5-diazabicyclo[3.1.0]hexane

KW - Activation parameters

KW - Convection and microwave heating

KW - Rate constants

KW - Thermal isomerization

UR - http://www.scopus.com/inward/record.url?scp=85045750356&partnerID=8YFLogxK

U2 - 10.1002/poc.3843

DO - 10.1002/poc.3843

M3 - Article

VL - 31

JO - Journal of Physical Organic Chemistry

JF - Journal of Physical Organic Chemistry

SN - 0894-3230

IS - 7

M1 - e3843

ER -