N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

Base Information

• Chemical Name: N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
• CAS No.: 396-12-3
• Molecular Formula: C9H7F3N2O3
• Molecular Weight: 248.161
• DSSTox Substance ID: DTXSID00381407
• Nikkaji Number: J1.670.226I
• Wikidata: Q82172202
• Mol file: 396-12-3.mol

Synonyms:N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide;396-12-3;N-(2-Nitro-4-(trifluoromethyl)phenyl)acetamide;2'-Nitro-4'-(trifluoromethyl)acetanilide;HMS542D19;Maybridge1_000261;SCHEMBL16739563;DTXSID00381407;MPPIOIXQXANPRH-UHFFFAOYSA-N;AKOS009156374;CCG-235794;CS-0362122;N-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide;A824648

Chemical Property of N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 248.04087658
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Technology Process of N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

There total 6 articles about N-[2-nitro-4-(trifluoromethyl)phenyl]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: 97.0%

acetic anhydride (108-24-7) + 4-trifluoromethyl-2-nitroaniline (400-98-6) → N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide (396-12-3)

Guidance literature:

With sulfuric acid; at 80 ℃; for 1h;

DOI:10.1016/j.ejmech.2005.09.001

Reference yield: 65.0%

4-(trifluromethyl)acetanilide (349-97-3) → N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide (396-12-3)

Guidance literature:

With Iron(III) nitrate nonahydrate; N-hydroxyphthalimide; In 1,2-dichloro-ethane; at 50 ℃; for 10h; regioselective reaction;

DOI:10.1039/c8ob00841h

Reference yield:

acetyl chloride (75-36-5) + 4-trifluoromethyl-2-nitroaniline (400-98-6) → N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide (396-12-3)

Guidance literature:

With pyridine;

upstream raw materials:

4-(trifluromethyl)acetanilide

acetic anhydride

4-trifluoromethyl-2-nitroaniline

acetyl chloride

Downstream raw materials:

4-trifluoromethyl-2-nitroaniline

N-(2-amino-4-(trifluoromethyl)phenyl)acetamide

N-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide

1-methyl-2-oxo-5-(trifluoromethyl)-2,3-dihydrobenzimidazole