5-Acetamido-2-nitrobenzoic acid

Base Information

• Chemical Name: 5-Acetamido-2-nitrobenzoic acid
• CAS No.: 4368-83-6
• Molecular Formula: C9H8 N2 O5
• Molecular Weight: 224.173
• Hs Code.: 29242990
• European Community (EC) Number: 224-461-4
• DSSTox Substance ID: DTXSID1063435
• Nikkaji Number: J62.024F
• Wikidata: Q27159253
• Metabolomics Workbench ID: 67942
• Mol file: 4368-83-6.mol

Synonyms:5-Acetamido-2-nitrobenzoic acid;4368-83-6;5-Acetylamino-2-nitrobenzoic acid;2-Nitro-5-acetylaminobenzoic acid;Benzoic acid, 5-(acetylamino)-2-nitro-;5-(acetylamino)-2-nitrobenzoic acid;5-ACETAMIDO-2-NITROBENZOICACID;EINECS 224-461-4;3'-Carboxy-4'-nitroacetanilide;5-(Acetamido)-2-nitrobenzoic acid;bmse000174;5-Acetamido-2-nitrobenzoic;Oprea1_692395;SCHEMBL890785;DTXSID1063435;CHEBI:86569;5-acetamido-2-nitro-benzoic acid;3-Acetylamino-6-nitrobenzoic acid;STR04792;CCG-54339;MFCD00035889;AKOS015889952;5-ACETYLAMINO-2-NITRO-BENZOIC ACID;CS-0206051;FT-0619682;T70920;EN300-7424542;A826401;SR-01000643442-1;Q27159253

Chemical Property of 5-Acetamido-2-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 9.18E-12mmHg at 25°C
• Melting Point: 225°C(dec.)(lit.)
• Boiling Point: 522.9°Cat760mmHg
• Flash Point: 270.1°C
• PSA: 112.22000
• Density: 1.526g/cm³
• LogP: 1.84760
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.04332136
• Heavy Atom Count: 16
• Complexity: 312

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Acetamido-2-nitrobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

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

Technology Process of 5-Acetamido-2-nitrobenzoic acid

There total 8 articles about 5-Acetamido-2-nitrobenzoic 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: 93.0%

3-acetylaminobenzoic acid (587-48-4) → 2-nitro-5-acetylaminobenzoic acid (4368-83-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 5 ℃; for 0.5h;

Reference yield: 76.0%

5-amino-2-nitrobenzoic acid (13280-60-9) + acetyl chloride (75-36-5) → 2-nitro-5-acetylaminobenzoic acid (4368-83-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

4-acetamido-2-methylnitrobenzene (51366-39-3) → 2-nitro-5-acetylaminobenzoic acid (4368-83-6)

Guidance literature:

With potassium permanganate; water;

upstream raw materials:

3-acetylaminobenzoic acid

4-acetamido-2-methylnitrobenzene

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

3-acetylaminobenzaldehyde

Downstream raw materials:

N-{3-[(5-benzoyl-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)carbonyl]-4-nitrophenyl}acetamide

N-{3-[(5-benzoyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)carbonyl]-4-nitrophenyl}acetamide

N-{3-[(5-benzoyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)carbonyl]-4-nitrophenyl}acetamide

Refernces

• 1、 Nekhoroshev, A. A.,Sevbo, D. P.,Ginzburg, O. A.. "PRODUCTS FROM NITRATION OF 3,5-SUBSTITUTED BENZOIC ACIDS". . p. 313 - 317. Retrieved 2007/10/02.