N-(3-fluoro-4-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(3-fluoro-4-nitrophenyl)acetamide
• CAS No.: 345-30-2
• Molecular Formula: C8H7FN2O3
• Molecular Weight: 198.154
• DSSTox Substance ID: DTXSID401293967
• Mol file: 345-30-2.mol

Synonyms:N-(3-fluoro-4-nitrophenyl)acetamide;345-30-2;3-Fluoro-4-nitroacetanilide;3'-fluoro-4'-nitroacetanilide;3'-flouro-4'-nitroacetanilide;SCHEMBL2333062;SIJMRGBYPYIMDJ-UHFFFAOYSA-N;DTXSID401293967;MFCD01463345;AKOS004910173;3-fluoro-4-nitroacetanilide, AldrichCPR;Acetamide, N-(3-fluoro-4-nitrophenyl)-;BS-32308;CS-0153977;D80637

Chemical Property of N-(3-fluoro-4-nitrophenyl)acetamide

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.04407025
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-fluoro-4-nitrophenyl)acetamide

There total 8 articles about N-(3-fluoro-4-nitrophenyl)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: 91.0%

3-fluoro-4-nitroaniline (2369-13-3) + acetic anhydride (108-24-7) → 3'-fluoro-4'-nitroacetanilide (345-30-2)

Guidance literature:

at 22 ℃; for 16h; Inert atmosphere;

Reference yield: 50.0%

N-(3-fluorophenyl)acetamide (351-28-0) → N-methylcarbonyl 2-nitro-5-fluoroaniline (345-14-2) + 3'-fluoro-4'-nitroacetanilide (345-30-2)

Guidance literature:

With sulfuric acid; guanidine nitrate; In water; at -10 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.201500795

Reference yield:

conc sulfuric acid + N-(3-fluorophenyl)acetamide (351-28-0) → 3'-fluoro-4'-nitroacetanilide (345-30-2)

Guidance literature:

With nitric acid;

upstream raw materials:

3-fluoro-4-nitroaniline

meta-fluoroaniline

N-(3-fluorophenyl)acetamide

acetic anhydride

Downstream raw materials:

N,N'-(2-fluoro-1,4-phenylene)diacetamide

Acetanilid