Carbonylation of ethanol using homogeneous Ir complex catalyst: effect of ligands and reaction conditions

A series of single enantiomer, 2,4-cis-disubstituted amino azetidines were synthesised and used as ligands for copper-catalysed Henry reactions of aldehydes with nitromethane. Optimisation of ligand substituents and the reaction conditions was conducted. The enantiomeric excess of the formed products was highest when alkyl aldehydes were employed in the reaction (>99% e.e.). The absolute stereochemistry of one representative azetidine derivative salt was determined by analysis of the Flack parameter of an XRD single crystal structure. The origin of selectivity in catalysis was investigated computationally, revealing the importance of the amino-substituent in determining the stereochemical outcome. A racemic platinum complex of a cis-disubstituted azetidine is examined by XRD single crystal structure analysis with reference to its steric parameters, and analogies to the computationally determined copper complex catalyst are drawn.

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Transesterification of sunflower oil with ethanol using sodium ethoxide as catalyst. Effect of the reaction conditions

Fuel Processing Technology ◽

10.1016/j.fuproc.2014.10.043 ◽

2015 ◽

Vol 131 ◽

pp. 29-35 ◽

Cited By ~ 10

Author(s):

B.S. Sánchez ◽

B. Benitez ◽

C.A. Querini ◽

G. Mendow

Keyword(s):

Sunflower Oil ◽

Sodium Ethoxide ◽

Reaction Conditions ◽

Catalyst Effect

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Mathematical modeling and multiobjective optimization complex catalyst hydroalumination reaction of olefins with diisobutylaluminium hydride

Journal of Physics Conference Series ◽

10.1088/1742-6596/2131/2/022015 ◽

2021 ◽

Vol 2131 (2) ◽

pp. 022015

Author(s):

K F Koledina ◽

I M Gubaydullin ◽

S N Koledin

Keyword(s):

Maximum Yield ◽

Organoaluminum Compound ◽

Variable Order ◽

Sampling Point ◽

Step Method ◽

Complex Catalyst ◽

Reaction Conditions ◽

Diisobutylaluminum Hydride ◽

Detailed Kinetic Model ◽

Subsequent Introduction

Abstract A mathematical model for the catalyst hydroalumination reaction of olefins with diisobutylaluminium hydride has been developed. In solving the direct kinetic problem applies multi-step method Gere variable order. When solving systems of ordinary differential equations in chemical kinetics, it is necessary to fulfill the balance relations at each sampling point. That ensures the fulfillment of the law of conservation of matter and the convergence of the numerical method. For the catalytic reaction of hydroalumination olefins in the presence of the organoaluminum compound diisobutylaluminum hydride, the problem of multicriteria optimization reaction conditions was solved based on a detailed kinetic model. The solutions found make it possible to optimally select the reaction conditions to achieve the maximum yield of target products, which can be based on the subsequent introduction of the laboratory reaction into production.

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Conversion of aqueous ethanol/acetaldehyde mixtures into 1,3-butadiene over a mesostructured Ta-SBA-15 catalyst: Effect of reaction conditions and kinetic modelling

Fuel Processing Technology ◽

10.1016/j.fuproc.2021.107092 ◽

2022 ◽

Vol 226 ◽

pp. 107092

Author(s):

G.M. Cabello González ◽

A.L. Villanueva Perales ◽

A. Martínez ◽

M. Campoy ◽

F. Vidal-Barrero

Keyword(s):

Aqueous Ethanol ◽

Kinetic Modelling ◽

Reaction Conditions ◽

Catalyst Effect

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Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis

10.26434/chemrxiv.5887243.v1 ◽

2018 ◽

Cited By ~ 1

Author(s):

Akina Yoshizawa ◽

Antonio Feula ◽

Louise Male ◽

Andrew G. Leach ◽

John Fossey

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Asymmetric Catalysis ◽

Enantiomeric Excess ◽

Platinum Complex ◽

Crystal Structure Analysis ◽

Single Crystal Structure ◽

Complex Catalyst ◽

Reaction Conditions ◽

Absolute Stereochemistry

A series of single enantiomer, 2,4-cis-disubstituted amino azetidines were synthesised and used as ligands for copper-catalysed Henry reactions of aldehydes with nitromethane. Optimisation of ligand substituents and the reaction conditions was conducted. The enantiomeric excess of the formed products was highest when alkyl aldehydes were employed in the reaction (>99% e.e.). The absolute stereochemistry of one representative azetidine derivative salt was determined by analysis of the Flack parameter of an XRD single crystal structure. The origin of selectivity in catalysis was investigated computationally, revealing the importance of the amino-substituent in determining the stereochemical outcome. A racemic platinum complex of a cis-disubstituted azetidine is examined by XRD single crystal structure analysis with reference to its steric parameters, and analogies to the computationally determined copper complex catalyst are drawn.

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