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

Base Information

• Chemical Name: 2-chloro-N-(3-chloro-4-fluorophenyl)propanamide
• CAS No.: 868771-19-1
• Molecular Formula: C₉H₈Cl₂FNO
• Molecular Weight: 236.073
• European Community (EC) Number: 966-447-7
• DSSTox Substance ID: DTXSID201244564
• Mol file: 868771-19-1.mol

Synonyms:2-chloro-N-(3-chloro-4-fluorophenyl)propanamide;868771-19-1;DTXSID201244564;MFCD08444160;AKOS001295632;AKOS016345344;VS-14063;EN300-23334;Z147652106

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

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 234.9966974
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC(=C(C=C1)F)Cl)Cl

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

There total 1 articles about 2-chloro-N-(3-chloro-4-fluorophenyl)propanamide 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:

3-chloro-4-fluorophenylamine (367-21-5) + 2-chloropropionyl chloride (7623-09-8) → 2-chloro-N-(3-chloro-4-fluoro-phenyl)-propionamide (868771-19-1)

Guidance literature:

In toluene; Heating;

DOI:10.1080/00397910500213880

Reference yield:

2-chloro-N-(3-chloro-4-fluoro-phenyl)-propionamide (868771-19-1) → N-(2-amino-5-chloro-4-fluoro-phenyl)-2-chloro-propionamide (868771-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; potassium nitrate / cooling

2: iron; ammonium chloride; acetic acid / H₂O; dimethylformamide

With sulfuric acid; ammonium chloride; iron; acetic acid; potassium nitrate; In water; N,N-dimethyl-formamide;

DOI:10.1080/00397910500213880

Reference yield:

2-chloro-N-(3-chloro-4-fluoro-phenyl)-propionamide (868771-19-1) → 2-chloro-N-(5-chloro-4-fluoro-2-nitro-phenyl)-propionamide (868771-29-3)

Guidance literature:

With sulfuric acid; potassium nitrate; cooling;

DOI:10.1080/00397910500213880

upstream raw materials:

3-chloro-4-fluorophenylamine

2-chloropropionyl chloride

Downstream raw materials:

2-chloro-N-(5-chloro-4-fluoro-2-nitro-phenyl)-propionamide

N-(2-amino-5-chloro-4-fluoro-phenyl)-2-chloro-propionamide