[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid

Base Information

Chemical Name:[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid
CAS No.:96865-83-7
Molecular Formula:C19H22 N4 O5
Molecular Weight:386.407
Hs Code.:
DSSTox Substance ID:DTXSID20914271
Nikkaji Number:J356.341C
Wikidata:Q27089241
Pharos Ligand ID:4PHK7ZPPWKG4
ChEMBL ID:CHEMBL27041
Mol file:96865-83-7.mol

Synonyms:8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine;XCC

Suppliers and Price of [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic 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

Usbiological
XCC
10mg
$ 389.00

TRC
XCC
50mg
$ 565.00

Tocris
XCC ≥98%(HPLC)
50
$ 603.00

Tocris
XCC ≥98%(HPLC)
10
$ 144.00

ApexBio Technology
XCC
50mg
$ 921.00

ApexBio Technology
XCC
10mg
$ 219.00

American Custom Chemicals Corporation
2-[4-(2,6-DIOXO-1,3-DIPROPYL-7H-PURIN-8-YL)PHENOXY]ACETIC ACID 95.00%
5MG
$ 503.97

Total 4 raw suppliers

Chemical Property of [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid

Chemical Property:

Vapor Pressure:6.11E-18mmHg at 25°C
Boiling Point:653°Cat760mmHg
Flash Point:348.7°C
PSA：119.21000
Density:1.325g/cm³
LogP:1.83670
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:386.15901982
Heavy Atom Count:28
Complexity:593

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

XCC ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O
Uses XCC is an adenosine receptor antagonist.

Technology Process of [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid

There total 10 articles about [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic 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: 60.0%

: 81250-34-2
1,3-dipropyl-5,6-diaminouracil

: 22042-71-3
(4-formylphenoxy)acetic acid

: 96865-83-7
8-[4-[(2-carboxymethyl)oxy]phenyl]-1,3-dipropylxanthine

Guidance literature:: 1,3-dipropyl-5,6-diaminouracil; (4-formylphenoxy)acetic acid; With acetic acid; In ethanol; for 2h; Reflux;

With di-isopropyl azodicarboxylate; In toluene; for 18h; Reflux;
DOI:10.1021/jm900298c