Ethyl 2-(3-chlorophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(3-chlorophenyl)acetate
• CAS No.: 14062-29-4
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 29153900
• European Community (EC) Number: 816-544-4
• DSSTox Substance ID: DTXSID60429056
• Nikkaji Number: J1.531.136C
• Wikidata: Q82241940
• Mol file: 14062-29-4.mol

Synonyms:ethyl 2-(3-chlorophenyl)acetate;14062-29-4;Ethyl 3-chlorophenylacetate;ETHYL (3-CHLOROPHENYL)ACETATE;Benzeneacetic acid, 3-chloro-, ethyl ester;m-Chloro Phenylacetic Acid ethyl Ester;(3-Chloro-phenyl)-acetic acid ethyl ester;ethyl m-chlorophenylacetate;m-chlorophenylacetic acid ethyl ester;MFCD07787498;(3-CHLOROPHENYL)ACETIC ACID ETHYL ESTER;ethyl(3-chlorophenyl)acetate;DTXSID60429056;CHEBI:194779;SLNHJHHDMDGTGB-UHFFFAOYSA-N;3-Chlorobenzeneacetic acid ethyl ester;AKOS011681261;AS-37711;SY104530;CS-0151603;FT-0687130;EN300-82888;A848658;Z982130886

Chemical Property of Ethyl 2-(3-chlorophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Refractive Index: 1.512-1.514
• Boiling Point: 258.431°C at 760 mmHg
• Flash Point: 118.312°C
• PSA: 26.30000
• Density: 1.164g/cm³
• LogP: 2.44560
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-chlorophenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC(=CC=C1)Cl

Technology Process of Ethyl 2-(3-chlorophenyl)acetate

There total 17 articles about Ethyl 2-(3-chlorophenyl)acetate 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: 99.0%

ethanol (64-17-5) + 3-chlorophenylacetic acid (1878-65-5) → ethyl 2-(3-chlorophenyl)acetate (14062-29-4)

Guidance literature:

With toluene-4-sulfonic acid; for 2h; Reflux; Inert atmosphere;

DOI:10.1039/c5cc05740j

Reference yield: 86.8%

3-chlorophenylacetic acid (1878-65-5) → ethyl 2-(3-chlorophenyl)acetate (14062-29-4)

Guidance literature:

sulfuric acid; In ethanol;

Reference yield: 83.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 1-chloro-3-methylbenzene (108-41-8) → ethyl 2-(3-chlorophenyl)acetate (14062-29-4)

Guidance literature:

With di-tert-butyl peroxide; dichloro[4,5-bis(diphenylphosphino)-9,9’-dimethylxanthene]palladium(II); at 120 ℃; for 16h; under 7600.51 Torr;

upstream raw materials:

ethanol

3-chloro-benzeneacetonitrile

ethyl 3-phenyl-2-propenoate

2-(3-chlorophenyl)acetamide

Downstream raw materials:

(+/-)-α-bromo-(3-chlorophenyl)acetic acid ethyl ester

1-(3-chlorophenyl)-2,4-pentanedione

3-oxo-2-(3-chlorophenyl)propionic acid ethyl ester

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