1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione

Base Information

Chemical Name:1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
CAS No.:120642-81-1
Molecular Formula:C13H12N4O2
Molecular Weight:256.264
Hs Code.:
ChEMBL ID:CHEMBL63944
DSSTox Substance ID:DTXSID50473801
Wikidata:Q82303432

Synonyms:CHEMBL63944;120642-81-1;1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione;phenyltheophylline;1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(phenylmethyl)-;SCHEMBL7453870;DTXSID50473801;BDBM50113235;PD179516

Suppliers and Price of 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione

Supply Marketing:

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

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Chemical Property of 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:256.09602564
Heavy Atom Count:19
Complexity:381

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC=N2

Technology Process of 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione

There total 7 articles about 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione 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: 98.0%

: 120642-78-6
1-Benzyl-3-methyl-7-aminoxanthine

: 120642-81-1
1-benzyl-3-methylxanthine

Guidance literature:: With hydrogenchloride; sodium nitrite; In water; at 5 ℃; for 2h;

Reference yield: 44.0%

: 439112-85-3
6-amino-1-methyl-5-nitroso-3-benzyl-1H-pyrimidine-2,4-dione

: 149-73-5
trimethyl orthoformate

: 120642-81-1
1-benzyl-3-methylxanthine

Guidance literature:: 6-amino-1-methyl-5-nitroso-3-benzyl-1H-pyrimidine-2,4-dione; With sodium dithionite; In water; ethyl acetate;

trimethyl orthoformate; for 2h; Further stages.; Heating;
DOI:10.1021/jm0104318

Reference yield:

: 2434-53-9
6-amino-1-methyluracil

: 120642-81-1
1-benzyl-3-methylxanthine

Guidance literature:: Multi-step reaction with 3 steps

1.1: 33 percent / 10percent aq. NaOH / methanol / 3 h / Heating

2.1: 50 percent / NaNO₂; 6N HCl; AcOH / 0.17 h

3.1: Na₂S₂O₄ / ethyl acetate; H₂O

3.2: 44 percent / 2 h / Heating

With hydrogenchloride; sodium dithionite; acetic acid; sodium nitrite; In methanol; water; ethyl acetate;
DOI:10.1021/jm0104318