1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester

Base Information

Chemical Name:1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester
CAS No.:25351-79-5
Molecular Formula:C16H23NO4
Molecular Weight:293.363
Hs Code.:
DSSTox Substance ID:DTXSID70471485
Nikkaji Number:J2.174.530H
Wikidata:Q82299997
Mol file:25351-79-5.mol

Synonyms:25351-79-5;Dibutyl 5-aminoisophthalate;1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester;Di-n-butyl 5-aminoisophthalate;5-amino-1,3-benzenedicarboxylic acid di-n-butyl ester;SCHEMBL4609677;DTXSID70471485;MUCGNJHSMUCASZ-UHFFFAOYSA-N

Suppliers and Price of 1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester

Supply Marketing:

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

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Chemical Property of 1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:293.16270821
Heavy Atom Count:21
Complexity:302

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC(=O)C1=CC(=CC(=C1)N)C(=O)OCCCC

Technology Process of 1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester

There total 4 articles about 1,3-Benzenedicarboxylic acid, 5-amino-, dibutyl ester 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: 44.2%

: 99-27-4
dimethyl 5-aminoisophthalate

: 71-36-3
butan-1-ol

: 25351-79-5
5-amino-isophthalic acid dibutyl ester

Guidance literature:: With sulfuric acid; for 24h; Reflux;
DOI:10.1039/c5cc00140d

Reference yield:

: 10552-75-7
dibutyl 5-nitroisophthalate

: 25351-79-5
5-amino-isophthalic acid dibutyl ester

Guidance literature:: With ammonium formate; palladium on activated charcoal; In tetrahydrofuran; methanol; for 1.5h; Heating;
DOI:10.1021/ol050341n

Reference yield:

: 618-88-2
5-nitrobenzene-1,3-dicarboxylic acid

: 25351-79-5
5-amino-isophthalic acid dibutyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: p-toluenesulfonic acid monohydrate / benzene / Heating

2: 51.3 g / ammonium formate / Pd/C / methanol; tetrahydrofuran / 1.5 h / Heating

With ammonium formate; toluene-4-sulfonic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; benzene;
DOI:10.1021/ol050341n