2-Ethylbenzoic acid ethyl ester

Base Information

• Chemical Name: 2-Ethylbenzoic acid ethyl ester
• CAS No.: 56427-44-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• Mol file: 56427-44-2.mol

Synonyms:2-Aethyl-benzoesaeure-aethylester;2-Ethyl-benzoesaeure-ethylester;Ethyl 2-Ethylbenzoate;2-Ethylbenzoesaeureethylester;2-ETHYLBENZOICACIDETHYLESTER;ethyl o-ethylbenzoate;2-ETHYLBENZOIC ACID ETHYL ESTER;2-ethyl-benzoic acid ethyl ester;

Chemical Property of 2-Ethylbenzoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• PSA: 26.30000
• LogP: 2.42570

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethylbenzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Ethylbenzoic acid ethyl ester

There total 15 articles about 2-Ethylbenzoic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

ethyl 2-iodobenzoate (1829-28-3) + ethylzinc chloride (2633-75-2) → ethyl ester of ortho-ethylbenzoic acid (56427-44-2)

Guidance literature:

With C₂₇H₁₇Cl₂F₄OPPd; In tetrahydrofuran; at 25 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.organomet.1c00001

Reference yield: 93.9%

ethyl 2-iodobenzoate (1829-28-3) + ethylzinc chloride (2633-75-2) → benzoic acid ethyl ester (93-89-0,99341-95-4) + ethyl ester of ortho-ethylbenzoic acid (56427-44-2)

Guidance literature:

ethyl 2-iodobenzoate; ethylzinc chloride; With C₂₇H₁₇Cl₂F₄OPPd; In tetrahydrofuran; hexane; at 19.84 ℃; for 3h; Schlenk technique; Inert atmosphere; Sealed tube;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 19.84 ℃; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/om5005379

Reference yield: 91.0%

ethyl 2-iodobenzoate (1829-28-3) + diethylzinc (557-20-0) → benzoic acid ethyl ester (93-89-0,99341-95-4) + ethyl ester of ortho-ethylbenzoic acid (56427-44-2)

Guidance literature:

With (E)-3-(2-(diphenylphosphino)phenyl)-1-phenylprop-2-en-1-one; dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; hexane; at 20 ℃; for 2h;

DOI:10.1021/ol701995t

upstream raw materials:

ethanol

2-ethylbenzoic acid

2-vinylbenzaldehyde

2-ethylbenzoyl chloride

Downstream raw materials:

2-ethylbenzyl chloride

1-ethyl-2-(α-chloro-isopropyl)-benzene

2-(2-ethylphenyl)acetonitrile

ethyl 2-(2-ethylphenyl)acetate

Refernces

• 1、 Gioria, Estefanía,del Pozo, Juan,Lledós, Agustí,Espinet, Pablo. "Understanding the Use of Phosphine-(EWO) Ligands in Negishi Cross-Coupling: Experimental and Density Functional Theory Mechanistic Study". supporting information. p. 2272 - 2282. Retrieved 2021/05/05.
• 2、 Gioria, Estefania,Martinez-Ilarduya, Jesus M.,Garcia-Cuadrado, Domingo,Miguel, Jesus A.,Genov, Miroslav,Espinet, Pablo. "Phosphines with tethered electron-withdrawing olefins as ligands for efficient Pd-catalyzed aryl-alkyl coupling". . p. 4255 - 4261. Retrieved 2013/09/02.