3-Amino-4-(ethylamino)benzoic acid

Base Information

Chemical Name:3-Amino-4-(ethylamino)benzoic acid
CAS No.:66315-20-6
Molecular Formula:C9H12N2O2
Molecular Weight:180.206
Hs Code.:2922499990
DSSTox Substance ID:DTXSID00357581
Wikidata:Q82137540
ChEMBL ID:CHEMBL1346753
Mol file:66315-20-6.mol

Synonyms:3-amino-4-(ethylamino)benzoic acid;66315-20-6;3-amino-4-ethylamino-benzoic Acid;MLS000402290;SMR000243069;HMS1787B15;Oprea1_236740;cid_854428;SCHEMBL1731245;CHEMBL1346753;BDBM54771;DTXSID00357581;MHEGZWSPTDRZIS-UHFFFAOYSA-N;3-amino-4-(ethylamino)benzoicacid;HMS2545F05;3-azanyl-4-(ethylamino)benzoic acid;STK374633;AKOS001060874;CS-0298624;EN300-142726;Z56885818

Suppliers and Price of 3-Amino-4-(ethylamino)benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-AMINO-4-ETHYLAMINO-BENZOIC ACID 95.00%
5MG
$ 502.12

Alichem
3-Amino-4-(ethylamino)benzoicacid
1g
$ 354.24

Total 5 raw suppliers

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

Chemical Property:

PSA：75.35000
LogP:2.05300
Storage Temp.:2-8°C
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.089877630
Heavy Atom Count:13
Complexity:185

Purity/Quality:

99% ^*data from raw suppliers

3-AMINO-4-ETHYLAMINO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCNC1=C(C=C(C=C1)C(=O)O)N

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

There total 2 articles about 3-Amino-4-(ethylamino)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: 95.0%

: 2788-74-1
4-(ethylamino)-3-nitrobenzoic acid

: 66315-20-6
3-amino-4-(ethylamino)benzoic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 10h;

Reference yield:

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

: 66315-20-6
3-amino-4-(ethylamino)benzoic 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