3-Amino-4-(propylamino)benzoic acid

Base Information

Chemical Name:3-Amino-4-(propylamino)benzoic acid
CAS No.:68740-32-9
Molecular Formula:C10H14N2O2
Molecular Weight:194.233
Hs Code.:
DSSTox Substance ID:DTXSID801293202

Synonyms:3-amino-4-(propylamino)benzoic acid;68740-32-9;3-amino-4-propylamino-benzoic Acid;SCHEMBL2687869;NCCPBFIZFBAPTB-UHFFFAOYSA-N;3-amino-4-propylamino-benzoicAcid;DTXSID801293202;3-Amino-4-n-propylaminobenzoic acid;3-amino-4-(propylamino)-benzoic acid;AKOS010216814;EN300-1116069

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Supply Marketing:

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

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Chemical Property of 3-Amino-4-(propylamino)benzoic acid

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.105527694
Heavy Atom Count:14
Complexity:197

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCNC1=C(C=C(C=C1)C(=O)O)N

Technology Process of 3-Amino-4-(propylamino)benzoic acid

There total 2 articles about 3-Amino-4-(propylamino)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:

: 68740-31-8
3-nitro-N⁴-propylaminobenzoic acid

: 68740-32-9
3-amino-4-propylaminobenzoic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; under 1810.02 Torr;
DOI:10.1016/S0968-0896(02)00103-7

Reference yield:

: 453-71-4
3-nitro-4-fluorobenzoic acid

: 68740-32-9
3-amino-4-propylaminobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaHCO₃ / 0.33 h / 150 °C / microwave irradiation

2: H₂ / Pd/C / ethyl acetate / 3 h / 20 °C / 760 Torr

With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In ethyl acetate;
DOI:10.1021/jm051099t

Reference yield: 57.0%

: 100-52-7
benzaldehyde

: 475489-74-8
4-methyl-N¹-propylbenzene-1,2-diamine

: 68740-32-9
3-amino-4-propylaminobenzoic acid

: 115577-24-7
2-phenyl-1propyl-1H-benzimidazole-5-carboxylic acid

Guidance literature:: benzaldehyde; With sodium disulfite; In ethanol; water;

4-methyl-N¹-propylbenzene-1,2-diamine; 3-amino-4-propylaminobenzoic acid; With N,N-dimethyl-formamide; at 130 ℃; for 4h;
DOI:10.1016/S0968-0896(02)00103-7