4-(Propylamino)benzoic acid

Base Information

• Chemical Name: 4-(Propylamino)benzoic acid
• CAS No.: 73686-77-8
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10394942
• Nikkaji Number: J3.123.179E
• Mol file: 73686-77-8.mol

Synonyms:4-(propylamino)benzoic acid;73686-77-8;4-(propylamino)benzoicacid;SCHEMBL872409;DTXSID10394942;BFPWLARXKLUGHY-UHFFFAOYSA-N;MFCD02856235;AKOS009113452;BS-36972;CS-0297924;EN300-86907

Chemical Property of 4-(Propylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 3.04E-05mmHg at 25°C
• PSA: 49.33000
• LogP: 2.27970
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(Propylamino)benzoic acid

There total 8 articles about 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: 70.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + propionaldehyde (123-38-6) → 4-(N-propyl)aminobenzoic acid (73686-77-8)

Guidance literature:

4-amino-benzoic acid; propionaldehyde; With borane-2-picoline complex; In methanol; at 20 ℃; for 14h;

In methanol;

DOI:10.1016/j.tetlet.2009.12.137

Reference yield:

1-Chloropropane (540-54-5) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(N-propyl)aminobenzoic acid (73686-77-8)

Guidance literature:

With dmap; sodium carbonate; In N,N-dimethyl-formamide; for 12h; Reflux;

DOI:10.1039/c9ra00476a

Reference yield:

4-(N-propylidene)aminobenzoic acid (1243413-90-2) → 4-(N-propyl)aminobenzoic acid (73686-77-8)

Guidance literature:

With 1% Pd/C Selcat Q6; hydrogen; In ethanol; at 25 ℃; for 8h; under 735.576 Torr; Solvent; Temperature; Activation energy; Kinetics;

DOI:10.1134/S1070428010050052

upstream raw materials:

4-propylamino-benzoic acid ethyl ester

propyl bromide

sulfuric acid

p-aminoethylbenzoate

Downstream raw materials:

2-(piperidin-1-yl)ethyl-4-(propylamino)benzoate

cornecaine

4-propylamino-benzoic acid-(2-diethylamino-ethyl ester)

4-propylamino-benzoic acid-(2-hydroxy-3-piperidino-propyl ester)