34619-32-4Relevant academic research and scientific papers
Characterization of polychlorinated alkane mixtures - A Monte Carlo modeling approach
Jensen, Soren R.,Brown, Wayne A.,Heath, Ester,Cooper, David G.
, p. 703 - 717 (2008/02/13)
A Monte Carlo model was developed to characterize the molecular composition of polychlorinated alkane mixtures. The model is based upon a simulation of the free-radical chlorination process by which polychlorinated alkane mixtures are produced industrially from n-alkanes. In the model, the free-radical chlorination reaction was simulated by randomly selecting a position on a partially converted alkane molecule for target by chlorine free-radical attack. The relative reactivities of the hydrogen atoms on the alkane chain towards chlorine free-radical substitution were either determined experimentally or extrapolated from experimental results and incorporated into the model. The result of the simulation is the prediction of the detailed molecular composition of any PCA mixture. Good agreement was found when comparing the distribution of molecules predicted by the model to analytically determined distributions of real PCA mixtures. Results from the model were then coupled with rules describing the action of biological enzymes to estimate the upper limit possible for the aerobic biodegradation of PCA mixtures.
Simple and practical halogenation of arenes, alkenes and alkynes with hydrohalic acid/H2O2 or TBHP)
Barhate, Nivrutti B.,Gajare, Anil S.,Wakharkar, Radhika D.,Bedekar, Ashutosh V.
, p. 11127 - 11142 (2007/10/03)
A simple protocol for the halogenation of arenes utilizing a combination of aqueous hydrogen peroxide (34 %) or tert-butylhydroperoxide (70 %) and hydrohalic acid is presented. A similar procure of oxyhalogenation involving the in situ generation of positive halogen reagents is applied for the preparation of vicinal trans-dibromoalkanes and dichloroalkanes from alkenes. The reaction of alkenes with a combination of hydrochloric acid and hydrobromic acid with hydrogen peroxide gave a mixture of 1-bromo 2-chloro alkanes and 1,2-dibromoalkanes: Oxidative bromination of alkynes is also reported under similar conditions.
OXIDATIVE HALOGENATION OF 1-DECENE UNDER THE ACTION OF THE K2S2O8-Hlg- SYSTEM IN AN AQUEOUS-ACIDIC MEDIUM
Gutsulyak, R. B.,Nikitchenko, V. S.,Serguchev, Yu. A.
, p. 877 - 880 (2007/10/02)
The oxidizing system peroxodisulfate-halide ion in water at low pH was found to be effective and selective in hydroxyhalogenation and halogenoxyperchloratization of 1-decene.A reaction mechanism is proposed, in which the halogenosulfate anion is the reactive species.
Polyfunctionalized N-Tensides. VII. Substitution and Elimination in the Reaction of 1,2-Dihalogenoalkanes with Amines
Beger, J.,Meerbote, E.
, p. 12 - 22 (2007/10/02)
1,2-Dichloroalkanes, 1,2-Dibromoalkanes and mixtures of 1-bromo-2-chloroalkanes and 1-chloro-2-bromoalkanes react with primary or secondary amines and give both elimination and substitution products, often in a nearly 1:1 proportion.The elimination products are the cis and trans-1-halo-1-alkenes, the 2-halo-1-alkenes, the 1,3- and 2,4-dienes and the 1-alkenes.The main substitution products are the 1,2-bis-aminoalkanes.Physical dates, 1H-n.m.r.-spectra,surface tension values and CMC-dates are given.
MECHANISM OF RADICAL TELOMERIZATION OF ETHYLENE WITH 1,1-DICHLOROETHANE
Dzheiranishvili, M. S.,Levinskii, M. B.,Chkhubianishvili, N. G.,Afanas'ev, I. B.
, p. 445 - 447 (2007/10/02)
The mechanism of the radical telomerization of ethylene with 1,2-dichloroethane was investigated. 1,2-Dichloroethane reacts with telomeric alkyl radicals with cleavage both of the C - H bond and of the C - Cl bond, and the ratio of the corresponding rate constants is 2.8 (100 deg C).It was shown that, in addition to the chlorine-containing telomers, the mixture of products from the reaction initiated by benzoyl peroxide contains alkyl- and dialkylbenzenes.
