Industrial Organic Chemicals

Wittcoff, Harold; Reuben, Bryan G.; Plotkin, Jeffrey S.

doi:10.1002/0471651540

Cited by 243 publications

(183 citation statements)

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“…As an example, the industrially important propene metathesis is described by three equilibrium reactions [57] . 2C 3 H 6 $ C 2 H 4 þ trans-C 4 H 8 .…”

Section: Reactive Monte Carlomentioning

confidence: 99%

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

Dubbeldam

Calero

Ellis

et al. 2015

Molecular Simulation

1,504

1,529

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A new software package, RASPA, for simulating adsorption and diffusion of molecules in flexible nanoporous materials is presented. The code implements the latest state-of-the-art algorithms for molecular dynamics and Monte Carlo (MC) in various ensembles including symplectic/measure-preserving integrators, Ewald summation, configurational-bias MC, continuous fractional component MC, reactive MC and Baker's minimisation. We show example applications of RASPA in computing coexistence properties, adsorption isotherms for single and multiple components, self-and collective diffusivities, reaction systems and visualisation. The software is released under the GNU General Public License.

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“…As an example, the industrially important propene metathesis is described by three equilibrium reactions [57] . 2C 3 H 6 $ C 2 H 4 þ trans-C 4 H 8 .…”

Section: Reactive Monte Carlomentioning

confidence: 99%

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

Dubbeldam

Calero

Ellis

et al. 2015

Molecular Simulation

1,504

1,529

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“…1 A typical method for preparing N-alkylamines is the nucleophilic substitution of an 15 amine with an alkylating agent such as an alkyl halide. 2 However, the reaction is prone to overalkylation and many alkylating agents are toxic.…”

mentioning

confidence: 99%

Room temperature and solvent-free iridium-catalyzed selective alkylation of anilines with alcohols

Andersson

2013

Chem. Commun.

118

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PostprintThis is the accepted version of a paper published in Chemical Communications. This paper has been peer-reviewed but does not include the final publisher proof-corrections or journal pagination. Citation for the original published paper (version of record):Li, J., Andersson, P. (2013) Room temperature and solvent-free iridium-catalyzed selective alkylation of anilines with alcohols. water is the only byproduct, making it atom-economical. Also, the replacement of toxic alkylating agents by readily available alcohols makes this a greener route for amine synthesis. 5 The overall transformation is based on a process called "borrowing hydrogen" 6 or "hydrogen autotransfer" 7 (Scheme 1). ChemicalScheme 1 "Borrowing hydrogen" or "hydrogen autotransfer" in the alkylation of an amine with an alcohol.The first use of homogeneous catalysts for the alkylation of amines with alcohols was described in 1981, and since then a 30 number of metal-containing catalysts, including complexes of ruthenium, rhodium and iridium, have been evaluated in this transformation. 4 N-Heterocyclic carbenes (NHCs) have found widespread applications as versatile ligands and experienced significant development in transition-metal catalysis in the past few years. 20 The high activity of the iridium catalysts in N-alkylation 55 reactions, combined with the excellent performance of NHCs as ligands in homogeneous catalysis, inspired us to seek an easily accessible and highly active NHC-based iridium catalyst for Nalkylation with alcohols. Here, we report a highly reactive bidentate iridium NHC/phosphine complex that catalyzes the N-60 alkylation of aromatic amines with primary alcohols under mild conditions. Some reactions could even be carried out at room temperature and without solvent.The three-step synthesis of the triphenylphosphinefunctionalized imidazolium salt 1 was reported by Zhou and co-65

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“…O fenol é bastante utilizado na fabricação de resinas fenólicas que são utilizadas pelas indústrias elétrica, automotiva, de equipamentos e adesiva. [18][19][20] O fenol é produzido a partir da reação de oxidação do ácido benzóico, em fase líquida, utilizando cobre como catalisador (Esquema 8). 21 Esquema 7.…”

Section: Aplicações Do áCido Benzóico Na Indústriaunclassified

Benzoic Acid (CAS 65-85-0)

Oliveira¹,

Reis²

2017

Rev. Virtual Quim.

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Abstract:Benzoic acid is a compound of industrial and synthetic interest. It has wide application in the food industry and are used, for example, in the production of preservatives. In the materials industry also participates to obtain nylon. This paper presents the main process of industrial synthesis of benzoic acid and some reactions involving this substance in addition to its applications and toxicity.

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Industrial Organic Chemicals

Cited by 243 publications

References 0 publications

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

Room temperature and solvent-free iridium-catalyzed selective alkylation of anilines with alcohols

Benzoic Acid (CAS 65-85-0)

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