3-benzyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione

Base Information

Chemical Name:3-benzyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS No.:64995-73-9
Molecular Formula:C13H12N4O2
Molecular Weight:256.264
Hs Code.:
DSSTox Substance ID:DTXSID70382860
Wikidata:Q82174328
ChEMBL ID:CHEMBL1542799

Synonyms:3-benzyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione;STK237441;64995-73-9;MLS001183998;SCHEMBL9328835;CHEMBL1542799;DTXSID70382860;HMS2833L23;AKOS003573781;CCG-313889;SMR000502931;EU-0050137;3-benzyl-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

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

Total 3 raw suppliers

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

Chemical Property:

XLogP3:0.7
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

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

There total 5 articles about 3-benzyl-7-methyl-3,7-dihydro-1H-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: 91.0%

: 122-51-0
orthoformic acid triethyl ester

: 72816-88-7
6-amino-1-benzyl-5-N-methylaminouracil

: 64995-73-9
3-benzyl-7-methyl-1H-purine-2,6(3H,7H)-dione

Guidance literature:: for 12h; Heating;
DOI:10.1021/jm011093d

Reference yield:

: 72816-87-6
6-amino-1-benzyl-5-bromo-2,4(1H)-pyrimidinedione

: 64995-73-9
3-benzyl-7-methyl-1H-purine-2,6(3H,7H)-dione

Guidance literature:: Multi-step reaction with 2 steps

1: H₂O / 4 h / 70 °C

2: 91 percent / 12 h / Heating

In water;
DOI:10.1021/jm011093d

Reference yield:

: 64995-66-0
4-(N-benzylamino)-1-methyl-1H-imidazole-5-carboxamide

: 64995-73-9
3-benzyl-7-methyl-1H-purine-2,6(3H,7H)-dione

Guidance literature:: Multi-step reaction with 2 steps

1: aq. AcOH-AcONa buffer, 10 percent aq. NaOH / ethyl acetate / 3.5 h / Ambient temperature; pH 5.2-5.3

2: 0.5 N aq. NaOH / 0.17 h / Heating

With sodium hydroxide; AcOH-AcONa buffer; In ethyl acetate;
DOI:10.1248/cpb.39.2855