4-(hexanoylamino)benzoic Acid

Base Information

Chemical Name:4-(hexanoylamino)benzoic Acid
CAS No.:109506-41-4
Molecular Formula:C13H17NO3
Molecular Weight:235.283
Hs Code.:
DSSTox Substance ID:DTXSID20429471
Nikkaji Number:J684.679C
Mol file:109506-41-4.mol

Synonyms:4-(hexanoylamino)benzoic Acid;109506-41-4;Benzoic acid, 4-[(1-oxohexyl)amino]-;SCHEMBL11801804;DTXSID20429471;STL497415;AKOS000299380

Suppliers and Price of 4-(hexanoylamino)benzoic Acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-(hexanoylamino)benzoic Acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:257

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)NC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(hexanoylamino)benzoic Acid

There total 3 articles about 4-(hexanoylamino)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: 91.0%

: 142-62-1
hexanoic acid

: 619-45-4
4-methoxycarbonyl aniline

: 109506-41-4
4-<(1-oxohexyl)amino>benzoic acid

Guidance literature:: hexanoic acid; 4-methoxycarbonyl aniline; With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20 ℃; for 24h;

With ethanol; water; lithium hydroxide; In tetrahydrofuran; at 65 ℃; for 3h;

Reference yield: 89.0%

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 142-61-0
Hexanoyl chloride

: 109506-41-4
4-<(1-oxohexyl)amino>benzoic acid

Guidance literature:: In N,N-dimethyl-formamide; for 3h; Heating;
DOI:10.1016/0223-5234(96)88270-5

Reference yield: 70.0%

: 123-66-0
Ethyl hexanoate

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 109506-41-4
4-<(1-oxohexyl)amino>benzoic acid

Guidance literature:: With trimethylaluminum; In tetrahydrofuran; n-heptane; at 125 ℃; for 0.333333h; Microwave irradiation;
DOI:10.1021/acs.jmedchem.5b00849