2-chloro-N-(3-chloro-4-fluorophenyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide
• CAS No.: 96980-64-2
• Molecular Formula: C8H6Cl2FNO
• Molecular Weight: 222.046
• Hs Code.: 2924299090
• European Community (EC) Number: 671-994-7
• DSSTox Substance ID: DTXSID00352859
• Nikkaji Number: J1.589.941G
• Wikidata: Q82130254
• Mol file: 96980-64-2.mol

Synonyms:2-chloro-N-(3-chloro-4-fluorophenyl)acetamide;96980-64-2;3-chloro-n-(chloroacetyl)-4-fluoroaniline;2,3'-Dichloro-4'-fluoroacetanilide;2,3'-dichloro-4-fluoroacetanilide;3-chloro-n-chloroacetyl-4-fluoroaniline;N-(2-chloroacetyl)-3-chloro-4-fluoroaniline;2-chloro-N-(3-chloro-4-fluoro-phenyl)acetamide;Acetamide,2-chloro-N-(3-chloro-4-fluorophenyl)-;SCHEMBL4002460;DTXSID00352859;JS-025C;DJPAQYXQRCWKEH-UHFFFAOYSA-N;MFCD00084938;STK317808;AKOS000266745;SB79867;UPCMLD0ENAT5636957:001;BB 0243194;CS-0070109;FT-0615494;EN300-01567;N-(2-chloroacteyl)-3-chloro-4-fluoroaniline;E76742;A845664;2-Chloro-N-(3-chloro-4-fluoro-phenyl)-aceta mide;J-509065;Z56821913;F9995-0364

Chemical Property of 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.83E-05mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.584
• Boiling Point: 363.2 °C at 760mmHg
• Flash Point: 173.5 °C
• PSA: 29.10000
• Density: 1.479 g/cm³
• LogP: 2.72940
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.9810474
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-N-(3-chloro-4-fluorophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC(=O)CCl)Cl)F

Technology Process of 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide

There total 2 articles about 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide 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: 99.3%

3-chloro-4-fluorophenylamine (367-21-5) + chloroacetyl chloride (79-04-9) → N-(2-chloroacetyl)-3-chloro-4-fluoroaniline (96980-64-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃;

DOI:10.1021/jm1011534

Reference yield: 74.0%

→ N-(2-chloroacetyl)-3-chloro-4-fluoroaniline (96980-64-2)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 20 ℃; for 0.166667h;

In dichloromethane; for 2h; Cooling with ice;

Reference yield: 85.65%

Methyl ferulate (2309-07-1) + N-(2-chloroacetyl)-3-chloro-4-fluoroaniline (96980-64-2) → methyl (2E)-3-(4-{2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethoxy}-3-methoxyphenyl)acrylate

Guidance literature:

Methyl ferulate; With potassium carbonate; In acetone; at 20 ℃; for 0.5h; Inert atmosphere;

N-(2-chloroacetyl)-3-chloro-4-fluoroaniline; In acetone; for 10h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2013.09.021

upstream raw materials:

3-chloro-4-fluorophenylamine

chloroacetyl chloride

Downstream raw materials:

N-(3-Chloro-4-fluoro-phenyl)-2-(4-chloro-3-methyl-phenoxy)-acetamide

N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide

N-(3-Chloro-4-fluoro-phenyl)-2-phenoxy-thioacetimidic acid methyl ester

N-(3-Chloro-4-fluoro-phenyl)-2-phenoxy-thioacetamide