116460-89-0

Basic information

• Product Name: ETHYL 3-(4-CYANOPHENYL)PROPANOATE
• Synonyms: ETHYL 3-(4-CYANOPHENYL)PROPANOATE;3-(4-CYANO-PHENYL)-PROPIONIC ACID ETHYL ESTER;Ethyl-3-(4-cyanophenyl)propionate;Benzenepropanoic acid, 4-cyano-, ethyl ester
• CAS NO: 116460-89-0
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.24
• Mol File: 116460-89-0.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 321.735 °C at 760 mmHg
• Flash Point: 150.856 °C
• Appearance: /
• Density: 1.096 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: ETHYL 3-(4-CYANOPHENYL)PROPANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-(4-CYANOPHENYL)PROPANOATE(116460-89-0)
• EPA Substance Registry System: ETHYL 3-(4-CYANOPHENYL)PROPANOATE(116460-89-0)

Safety Data

• Hazardous Substances Data: 116460-89-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 7684, 1995 DOI: 10.1021/jo00128a049

InChI:InChI=1/C12H13NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6H,2,7-8H2,1H3

Upstream product

• 6414-69-3 ethyl 3-iodopropanoate 
• 131379-14-1 4-cyanophenylzinc bromide 
• 20655-58-7 ethyl (E)-4-cyanocinnamate 
• 105-07-7 4-cyanobenzaldehyde 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 
• 64-17-5 ethanol 
• 3435-51-6 4-ethenylbenzonitrile 
• 201230-82-2 carbon monoxide 
• 623-00-7 4-bromobenzenecarbonitrile 
• 140-88-5 ethyl acrylate 
• 539-74-2 Ethyl 3-bromopropionate 
• 3058-39-7 4-iodobenzonitrile 
• 623-03-0 4-Cyanochlorobenzene 
• 66107-32-2 4-cyanophenyl trifluoromethanesulfonate 

Downstream Products

• 1380428-08-9 4-[(2-{[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile 
• 1380426-92-5 4-[(2-{[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]oxy}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile 
• 1380430-58-9 4-[(4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]benzonitrile 
• 1380427-47-3 4-[(2-{[(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]thio}-4-oxo-1,4-dihydro-5-pyrimidinyl)methyl]benzonitrile 
• 942282-31-7 3-(4-cyanophenyl)-N-methyl-N-(2-hydroxyethyl)propanamide 
• 42287-94-5 (4-cyanophenyl)propionic acid 
• 83101-12-6 4-(3-Hydroxypropyl)benzonitrile 

Relevant articles and documents

Ni(II)-catalyzed cross-coupling between polyfunctional arylzinc derivatives and primary alkyl iodides [3]

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Method for preparing organic carboxylic ester through combined catalysis of aryl bidentate phosphine ligand

The invention discloses a method for preparing organic carboxylic ester by combined catalysis of an aryl bidentate phosphine ligand. The method comprises the following steps: under the action of a palladium compound/aryl bidentate phosphine ligand/acidic additive combined catalyst, carrying out a hydrogen esterification reaction on terminal olefin, carbon monoxide and alcohol so as to generate theorganic carboxylic ester with one more carbon than olefin. According to the invention, by adoption of the palladium compound/aryl bidentate phosphine ligand/acidic additive combined catalyst, good catalytic activity and selectivity for the hydrogen esterification reaction of the olefin are achieved, and olefin carbonylation to synthesize organic carboxylic ester can be efficiently catalyzed. Thearyl bidentate phosphine ligand has a rigid skeleton structure of a rigid ligand and the flexibility of a flexible ligand, so the aryl bidentate phosphine ligand has proper flexibility due to the characteristic that the aryl bidentate phosphine ligand is soft and rigid, and a most favorable coordination mode and a stable active structure in space are favorably formed. In addition, the aryl bidentate phosphine ligand has the advantages of high stability, simple and convenient synthesis method and the like; and a novel industrial technology is provided for production of organic carboxylate compounds.

Direct synthesis of ester-containing indium homoenolate and its application in palladium-catalyzed cross-coupling with aryl halide

An efficient method for the synthesis of ester-containing indium homoenolate via a direct insertion of indium into β-halo ester in the presence of CuI/LiCl was described. The synthetic utility of the indium homoenolate was demonstrated by palladium-cataly