2-(3-Aminobenzoylamino)benzoic acid

Base Information

Chemical Name:2-(3-Aminobenzoylamino)benzoic acid
CAS No.:60498-42-2
Molecular Formula:C14H12N2O3
Molecular Weight:256.261
Hs Code.:
DSSTox Substance ID:DTXSID80354619
Wikidata:Q82132865
ChEMBL ID:CHEMBL2069997

Synonyms:2-(3-Aminobenzoylamino)benzoic acid;60498-42-2;2-{[(3-aminophenyl)carbonyl]amino}benzoic acid;2-[(3-aminobenzoyl)amino]benzoic acid;CBMicro_029817;Oprea1_291455;SCHEMBL4105091;CHEMBL2069997;DTXSID80354619;2-(3-Aminobenzamido)Benzoic Acid;MFCD01158854;STK295838;AKOS001625042;BIM-0029796.P001;SR-01000430996;SR-01000430996-1

Suppliers and Price of 2-(3-Aminobenzoylamino)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(3-Aminobenzoylamino)benzoic acid

Chemical Property:

Melting Point:231-233 °C
Boiling Point:418.7±30.0 °C(Predicted)
PSA：95.91000
Density:1.399±0.06 g/cm3(Predicted)
LogP:3.18450
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:256.08479225
Heavy Atom Count:19
Complexity:346

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)N

Technology Process of 2-(3-Aminobenzoylamino)benzoic acid

There total 3 articles about 2-(3-Aminobenzoylamino)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: 72.0%

: 60498-41-1
2-(3-nitrobenzamido)benzoic acid

: 60498-42-2
N-(3-aminobenzoyl)anthranilic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 24h; under 760.051 Torr;

Reference yield:

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 60498-42-2
N-(3-aminobenzoyl)anthranilic acid

Guidance literature:: With pDRf₁-(4-coumaroyl:CoA ligase 5 from Arabidopsis thaliana)-(hydroxycinnamoyl/benzoyl-CoA:anthranilate N-hydroxycinnamoyl/benzoyltransferase 1 from Dianthus caryophyllus) recombinant yeast; In dimethyl sulfoxide; at 30 ℃; for 24h;
DOI:10.1371/journal.pone.0138972

Reference yield:

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 121-90-4
m-nitrobenzoic acid chloride

: 60498-42-2
N-(3-aminobenzoyl)anthranilic acid

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 12 h

2: hydrogen / palladium on activated charcoal / methanol / 24 h / 760.05 Torr

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;