2-(Propylamino)benzoic acid

Base Information

Chemical Name:2-(Propylamino)benzoic acid
CAS No.:21716-81-4
Molecular Formula:C10H13NO2
Molecular Weight:179.219
Hs Code.:2922499990
DSSTox Substance ID:DTXSID80428884
Wikidata:Q82241725
Mol file:21716-81-4.mol

Synonyms:2-(propylamino)benzoic acid;21716-81-4;propylaminobenzoic acid;2-(propylamino)benzoicacid;SCHEMBL1902821;DTXSID80428884;MFCD07439739;AKOS000125136;BS-37471;CS-0297925;Z111833842

Suppliers and Price of 2-(Propylamino)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

TRC
2-(propylamino)benzoicacid
50mg
$ 60.00

TRC
2-(propylamino)benzoicacid
10mg
$ 45.00

ChemBridge Corporation
2-(propylamino)benzoicacid 95%
250 mg
$ 64.00

American Custom Chemicals Corporation
2-(PROPYLAMINO)BENZOIC ACID 95.00%
5G
$ 1491.68

American Custom Chemicals Corporation
2-(PROPYLAMINO)BENZOIC ACID 95.00%
1G
$ 818.61

Total 3 raw suppliers

Chemical Property of 2-(Propylamino)benzoic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:113-114 °C
Boiling Point:334.363°C at 760 mmHg
PKA:2.73±0.36(Predicted)
Flash Point:156.017°C
PSA：49.33000
Density:1.161g/cm³
LogP:2.27970
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:170

Purity/Quality:

99% ^*data from raw suppliers

2-(propylamino)benzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCNC1=CC=CC=C1C(=O)O

Technology Process of 2-(Propylamino)benzoic acid

There total 7 articles about 2-(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: 68.0%

: 556-53-6
N-propylamine hydrochloride

: 88-65-3
2-bromobenzoic-acid

: 21716-81-4
2-(n-propylamino)benzoic acid

Guidance literature:: With potassium phosphate; copper(l) iodide; 1,1'-bi-2-naphthol; In N,N-dimethyl-formamide; at 25 ℃; for 16h; Inert atmosphere;
DOI:10.1002/adsc.200900065

Reference yield: 32.0%

: 107-10-8,42939-71-9
propylamine

: 88-65-3
2-bromobenzoic-acid

: 21716-81-4
2-(n-propylamino)benzoic acid

Guidance literature:: With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 12h; Inert atmosphere;
DOI:10.1002/anie.200804675

Reference yield: 22.4%

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

: 106-94-5
propyl bromide

: 21716-81-4
2-(n-propylamino)benzoic acid

Guidance literature:: anthranilic acid; With potassium carbonate; potassium iodide; In water; acetonitrile; at 20 ℃; for 0.5h;

propyl bromide; In water; acetonitrile; for 24h; Reflux;
DOI:10.1021/acsmedchemlett.7b00007