Ethyl 3,4-dichlorophenylacetate

Base Information

• Chemical Name: Ethyl 3,4-dichlorophenylacetate
• CAS No.: 6725-45-7
• Molecular Formula: C10H10Cl2O2
• Molecular Weight: 233.094
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40372051
• Nikkaji Number: J304.665F
• Wikidata: Q82159632
• Mol file: 6725-45-7.mol

Synonyms:Ethyl 3,4-dichlorophenylacetate;6725-45-7;ethyl 2-(3,4-dichlorophenyl)acetate;Ethyl 3,4-Dichlorophenyl acetate;3,4-Dichlorophenyl butyrate;SCHEMBL2646637;DTXSID40372051;QAEBVJIVEPSFRK-UHFFFAOYSA-N;MFCD00833397;AKOS008947877;3,4-dichlorophenylacetic acid ethyl ester;BS-48614;3,4-Dichlorobenzeneacetic acid ethyl ester;CS-0202762;FT-0636245;Benzeneacetic acid,3,4-dichloro-,ethyl ester;(3,4-dichloro-phenyl)-acetic acid ethyl ester;E82428

Chemical Property of Ethyl 3,4-dichlorophenylacetate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 24-26 °C
• Refractive Index: 1.532
• Boiling Point: 291 °C at 760 mmHg
• Flash Point: 116.5 °C
• PSA: 26.30000
• Density: 1.276 g/cm³
• LogP: 3.09900
• Water Solubility.: Insoluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.0057849
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl3,4-dichlorophenylacetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,4-dichlorophenylacetate

There total 5 articles about Ethyl 3,4-dichlorophenylacetate 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: 95.0%

ethanol (64-17-5) + 3,4-dichlorophenyl acetic acid (5807-30-7) → ethyl 3,4-dichlorophenylacetate (6725-45-7)

Guidance literature:

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

DOI:10.1002/anie.201812925

Reference yield: 90.0%

3,4-dichlorophenyl acetic acid (5807-30-7) → ethyl 3,4-dichlorophenylacetate (6725-45-7)

Guidance literature:

In ethanol;

Reference yield: 75.0%

glycine ethyl ester hydrochloride (623-33-6) + 3,4-dichlophenylboronic acid (151169-75-4) → ethyl 3,4-dichlorophenylacetate (6725-45-7)

Guidance literature:

With ammonium chloride; sodium nitrite; In water; toluene; at 100 ℃; for 24h; Schlenk technique;

DOI:10.1002/anie.201406765

upstream raw materials:

ethanol

3,4-dichlorophenyl acetic acid

glycine ethyl ester hydrochloride

3,4-dichlophenylboronic acid

Downstream raw materials:

diethyl (3,4-dichlorophenyl)propanedioate

erythro-2-(3,4-dichlorophenyl)-4-cyano-3-phenylbutanoate d'ethyle

ethyl α-bromo-3,4-dichlorophenylacetate

2-(3,4-dichlorophenyl)ethanol