N-(3,4-Dichlorophenyl)acetamide

Base Information

• Chemical Name: N-(3,4-Dichlorophenyl)acetamide
• CAS No.: 2150-93-8
• Molecular Formula: C8H7 Cl2 N O
• Molecular Weight: 204.056
• Hs Code.: 2924299090
• European Community (EC) Number: 654-500-4
• NSC Number: 30069,17008
• UNII: N6H98GF14R
• DSSTox Substance ID: DTXSID00175843
• Nikkaji Number: J80.403G
• Wikidata: Q27284628
• ChEMBL ID: CHEMBL579571
• Mol file: 2150-93-8.mol

Synonyms:3,4-dichloroacetanilide

Chemical Property of N-(3,4-Dichlorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 2.13E-05mmHg at 25°C
• Melting Point: 121-124°C
• Boiling Point: 361°Cat760mmHg
• PKA: 13.58±0.70(Predicted)
• Flash Point: 172.1°C
• PSA: 29.10000
• Density: 1.393g/cm³
• LogP: 3.02480
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 202.9904692
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3',4'-Dichloroacetanilide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)Cl)Cl
• Uses: N-(3,4-dichlorophenyl)acetamide is used in preparation of Triazolecarboxylic Acid derivatives as Glycolate Oxidase inhibitors.

Technology Process of N-(3,4-Dichlorophenyl)acetamide

There total 17 articles about N-(3,4-Dichlorophenyl)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: 98.0%

acetic anhydride (108-24-7) + m,p-dichloroaniline (95-76-1) → N-(3,4-dichlorophenyl)acetamide (2150-93-8)

Guidance literature:

for 0.00277778h; Green chemistry;

DOI:10.21577/0103-5053.20160265

Reference yield: 95.0%

m,p-dichloroaniline (95-76-1) + acetonitrile (75-05-8,26809-02-9) → N-(3,4-dichlorophenyl)acetamide (2150-93-8)

Guidance literature:

With aluminum oxide; at 200 ℃; for 0.45h; under 37503.8 Torr; Sonication; Green chemistry;

DOI:10.3390/molecules25081985

Reference yield: 89.3%

acetyl chloride (75-36-5) + m,p-dichloroaniline (95-76-1) → N-(3,4-dichlorophenyl)acetamide (2150-93-8)

Guidance literature:

With potassium carbonate; In acetone; at 0 - 30 ℃; for 11h;

DOI:10.1007/s11164-011-0327-6

upstream raw materials:

N-chloro-succinimide

3-Chloroacetanilide

N-chloro-m-chloroacetanilide

acetic acid

Downstream raw materials:

3-pyridine

N-(4,5-dichloro-2-nitrophenyl)acetamide

4,5-dichloro-2-nitroaniline

3,4-dichloro-2-nitro-aniline

Refernces

• 1、 Campos-Almazán, Mara Ibeth,Flores-Ramos, Miguel,Hernández-Campos, Alicia,Castillo, Rafael,Sierra-Campos, Erick,Torgeson, Kristiane,Peti, Wolfgang,Valdez-Solana, Mónica,Oria-Hernández, Jesús,Méndez, Sara T.,Castillo-Villanueva, Adriana,Jiménez-de Jesús, Hugo,Avitia-Domínguez, Claudia,Téllez-Valencia, Alfredo. "Design, synthesis, kinetic, molecular dynamics, and hypoglycemic effect characterization of new and potential selective benzimidazole derivatives as Protein Tyrosine Phosphatase 1B inhibitors". . . Retrieved 2021/09/28.
• 2、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 001137; 001138. . Retrieved 2021/01/22.