3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid

Base Information

Chemical Name:3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid
CAS No.:89073-61-0
Molecular Formula:C₁₅H₁₅N₄O₅S*K
Molecular Weight:402.472
Hs Code.:
ChEMBL ID:CHEMBL11154
DSSTox Substance ID:DTXSID201138428

Synonyms:CHEMBL11154;SCHEMBL10803201;DTXSID201138428;BDBM50020959;3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid;89073-61-0;3-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid:dihydrate

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Supply Marketing:

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

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Chemical Property of 3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:364.08414080
Heavy Atom Count:25
Complexity:649

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CC(=CC=C3)S(=O)(=O)O

Technology Process of 3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid

There total 4 articles about 3-(1,3-Diethyl-2,3,6,9-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic 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:

: 52998-22-8
5,6-diamino-1,3-diethyluracil

: 89073-61-0
3-(1,3-diethyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid potassium salt

Guidance literature:: Multi-step reaction with 2 steps

1: ethyl <3-(dimethylamino)propyl>carbodiimide (EDAC) / H₂O

2: 30percent aq. KOH / 0.17 h / Heating

With potassium hydroxide; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In water;
DOI:10.1021/jm00146a016

Reference yield:

: 121-53-9
3-sulfosalicylic acid

: 89073-61-0
3-(1,3-diethyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid potassium salt

Guidance literature:: Multi-step reaction with 2 steps

1: ethyl <3-(dimethylamino)propyl>carbodiimide (EDAC) / H₂O

2: 30percent aq. KOH / 0.17 h / Heating

With potassium hydroxide; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In water;
DOI:10.1021/jm00146a016