2-Acetamido-5-fluorobenzoic acid

Base Information

• Chemical Name: 2-Acetamido-5-fluorobenzoic acid
• CAS No.: 49579-56-8
• Molecular Formula: C9H8FNO3
• Molecular Weight: 197.166
• Hs Code.: 2924299090
• European Community (EC) Number: 671-092-3
• DSSTox Substance ID: DTXSID60370973
• Nikkaji Number: J1.341.096H
• Mol file: 49579-56-8.mol

Synonyms:2-acetamido-5-fluorobenzoic acid;49579-56-8;2-(acetylamino)-5-fluorobenzoic acid;MFCD00973900;2-acetamido-5-fluoro-benzoic Acid;N-Acetyl-5-fluoroanthranilic acid;2-ACETAMIDO-5-FLUOROBENZOICACID;SCHEMBL252578;DTXSID60370973;QNHDURZULPJHIT-UHFFFAOYSA-N;AC6220;PC4335;AKOS000179964;FS-1195;SY004955;CS-0206501;FT-0639869;2-acetamido-5-fluorobenzoic acid, AldrichCPR;EN300-192419;A827754

Chemical Property of 2-Acetamido-5-fluorobenzoic acid

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 413.8 °C at 760 mmHg
• Flash Point: 204 °C
• PSA: 66.40000
• Density: 1.415 g/cm³
• LogP: 1.55530
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 197.04882128
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

98% ^*data from raw suppliers

2-Acetamido-5-fluorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Acetamido-5-fluorobenzoic acid

There total 5 articles about 2-Acetamido-5-fluorobenzoic acid 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: 75.0%

N,N-dimethyloxamic acid (32833-96-8) + 4'-fluoroacetanilide (351-83-7) → 2-acetamido-5-fluorobenzoic acid (49579-56-8)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1039/c5cc07890c

Reference yield:

2-amino-5-fluorobenzoic acid (446-08-2) + Cleland's reagent → 2-acetamido-5-fluorophenol (16323-08-3) + 2-acetamido-5-fluorobenzoic acid (49579-56-8)

Guidance literature:

With oxygen; In aq. buffer; at 30 ℃; for 7h; pH=7; Microbiological reaction;

DOI:10.1021/acs.jafc.1c06910

Reference yield:

2-amino-5-fluorobenzoic acid (446-08-2) → 2-acetamido-5-fluorobenzoic acid (49579-56-8)

Guidance literature:

With acetic anhydride;

upstream raw materials:

N-(4-fluoro-2-methylphenyl)acetamide

2-amino-5-fluorobenzoic acid

N,N-dimethyloxamic acid

4'-fluoroacetanilide

Downstream raw materials:

2-amino-5-fluorobenzoic acid

C₂₂H₂₄FN₅O₃

5-fluoro-2-iodobenzoic acid

[2-(4-Chloro-phenylsulfanyl)-5-fluoro-phenyl]-acetic acid