2-(Formylamino)benzoic acid

Base Information

• Chemical Name: 2-(Formylamino)benzoic acid
• CAS No.: 3342-77-6
• Molecular Formula: C8H7 N O3
• Molecular Weight: 165.148
• Hs Code.: 2922509090
• European Community (EC) Number: 667-254-8
• NSC Number: 509050
• UNII: 6670418F9K
• DSSTox Substance ID: DTXSID70187059
• Nikkaji Number: J576.445I
• Wikidata: Q27104373
• Metabolomics Workbench ID: 38464
• ChEMBL ID: CHEMBL1213015
• Mol file: 3342-77-6.mol

Synonyms:formylanthranilic acid;N-formylanthranilic acid

Chemical Property of 2-(Formylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 2.81E-06mmHg at 25°C
• Melting Point: 161-163℃
• Boiling Point: 374.6°C at 760 mmHg
• PKA: 3.36±0.36(Predicted)
• Flash Point: 180.4°C
• PSA: 69.23000
• Density: 1.390
• LogP: 0.32730
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

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

2-(Formylamino)benzoicAcid(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC=O

Technology Process of 2-(Formylamino)benzoic acid

There total 28 articles about 2-(Formylamino)benzoic 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: 96.0%

formic acid (64-18-6) + ortho-nitrobenzoic acid (552-16-9,104810-18-6) → N-formylanthranilic acid (3342-77-6)

Guidance literature:

With silver and palladium nanoparticles immobilized over the surface of graphitic carbon nitride (g-C₃N₄); In water; for 2h; Irradiation;

DOI:10.1039/c5gc02799c

Reference yield: 95.0%

formic acid (64-18-6) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → N-formylanthranilic acid (3342-77-6)

Guidance literature:

at 80 ℃; for 1.75h;

DOI:10.1021/tx5001656

Reference yield: 93.0%

4-chlorophenyl formate (1988-22-3) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → N-formylanthranilic acid (3342-77-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 14h;

DOI:10.1080/00397911.2016.1255334

upstream raw materials:

isatoic anhydride

formic acid

anthranilic acid

indole

Downstream raw materials:

2-(4-oxo-4H-quinazolin-3-yl)benzoic acid

bis-4H-3,1-benzoxazine-4-one

2-methyl-4-oxo-3,1-benzoxazine

3-(4-ethoxy-phenyl)-3H-quinazolin-4-one