5-Acetamido-2-aminobenzoic acid

Base Information

• Chemical Name: 5-Acetamido-2-aminobenzoic acid
• CAS No.: 50670-83-2
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• European Community (EC) Number: 256-702-4
• DSSTox Substance ID: DTXSID5068574
• Nikkaji Number: J62.002E
• Wikidata: Q72433988
• Mol file: 50670-83-2.mol

Synonyms:50670-83-2;5-Acetamido-2-aminobenzoic acid;5-Acetamidoanthranilic Acid;2-amino-5-acetamidobenzoic acid;5-(Acetylamino)-2-aminobenzoic acid;Benzoic acid, 5-(acetylamino)-2-amino-;EINECS 256-702-4;5-Acetamino-2-aminobenzoic acid;5-Acetamido-2-aminobenzoicacid;5-acetamido-2-amino-benzoic acid;MFCD00060120;5-Acetylaminoanthanilic acid;SCHEMBL258439;DTXSID5068574;2-Amino-5-acetaminobenzoic acid;5-Acetamide-2-Amine-benzoic acid;AKOS000121139;AS-60584;A1081;CS-0087314;FT-0619919;EN300-24426;5-(Acetylamino)-2-aminobenzoic acid, AldrichCPR;A828238;W-105936;F0001-1323;Z196931010

Chemical Property of 5-Acetamido-2-aminobenzoic acid

Chemical Property:

• Appearance/Colour: Grey to white, sensitive to moisture
• Vapor Pressure: 5.38E-06mmHg at 25°C
• Melting Point: 230 °C (dec.)
• Refractive Index: 1.676
• Boiling Point: 365.8 °C at 760 mmHg
• PKA: 1.99±0.10(Predicted)
• Flash Point: 175.1 °C
• PSA: 92.42000
• Density: 1.414 g/cm³
• LogP: 1.57960
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

5-Acetamidoanthranilic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)N)C(=O)O
• Uses: 5-Acetamidoanthranilic acid is used as a reactant in the preparation of condensed heteroaryl derivatives as phosphatidylinositol 3-kinase inhibitors and anticancer agents.

Technology Process of 5-Acetamido-2-aminobenzoic acid

There total 6 articles about 5-Acetamido-2-aminobenzoic 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: 83.0%

allyl 5-acetamido-2-nitrobenzoate → 5-acetylamino-2-aminobenzene carboxylic acid (50670-83-2)

Guidance literature:

In methanol; ethyl acetate; Petroleum ether;

Reference yield:

5-(acetylamino)-2-nitrobenzoic acid triethylamine salt (123102-31-8) → 5-acetylamino-2-aminobenzene carboxylic acid (50670-83-2)

Guidance literature:

With cyclohexene; palladium on activated charcoal; In ethanol; for 1h; Heating;

DOI:10.1021/jm00164a002

Reference yield:

5-amino-2-nitrobenzoic acid (13280-60-9) → 5-acetylamino-2-aminobenzene carboxylic acid (50670-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride / 1 h / Ambient temperature

2: cyclohexene / 10percent Pd/C / ethanol / 1 h / Heating

With cyclohexene; palladium on activated charcoal; In ethanol; acetic anhydride;

DOI:10.1021/jm00164a002

upstream raw materials:

2-nitro-5-acetylaminobenzoic acid

5-(acetylamino)-2-nitrobenzoic acid triethylamine salt

5-amino-2-nitrobenzoic acid

3-acetylaminobenzoic acid

Downstream raw materials:

5-Acetylamino-2-(5-chloro-2-nitro-phenylamino)-benzoic acid

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