9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione

Base Information

Chemical Name:9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione
CAS No.:61080-46-4
Molecular Formula:C14H14N4O2
Molecular Weight:270.28700
Hs Code.:
DSSTox Substance ID:DTXSID70349796
Wikidata:Q82125270
ChEMBL ID:CHEMBL1461790

Synonyms:STK169386;MLS000077712;61080-46-4;Oprea1_172607;CHEMBL1461790;9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione;DTXSID70349796;HMS2405D21;AKOS005409445;NCGC00020027-01;NCGC00020027-02;SMR000035996

Suppliers and Price of 9-benzyl-1,8-dimethyl-3,9-dihydro-1H-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 9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione

Chemical Property:

Melting Point:337 °C(Solv: ethanol (64-17-5))
PSA：72.94000
Density:1.37±0.1 g/cm3(Predicted)
LogP:1.19230
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:270.11167570
Heavy Atom Count:20
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C

Technology Process of 9-benzyl-1,8-dimethyl-3,9-dihydro-1H-purine-2,6-dione

There total 4 articles about 9-benzyl-1,8-dimethyl-3,9-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:

: 1-Benzyl-2-methyl-5-(3-methyl-ureido)-1H-imidazole-4-carboxylic acid ethyl ester

: 61080-46-4
9-benzyl-1,8-dimethyl-3,9-dihydro-purine-2,6-dione

Guidance literature:: With sodium methylate; In methanol; for 1h; Yield given; Heating;
DOI:10.1021/jm9608467

Reference yield:

: 118778-41-9
ethyl 5-amino-1-benzyl-2-methyl-1H-imidazole-4-carboxylate

: 61080-46-4
9-benzyl-1,8-dimethyl-3,9-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / benzene / 18 h / 100 °C

2: NaOMe / methanol / 1 h / Heating

With sodium methylate; triethylamine; In methanol; benzene;
DOI:10.1021/jm9608467

Reference yield:

: 191982-67-9
2-cyano-N-(1-ethoxyethylidene)glycine ethyl ester

: 61080-46-4
9-benzyl-1,8-dimethyl-3,9-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 52 percent / ethanol / 2 h / 80 °C

2: Et₃N / benzene / 18 h / 100 °C

3: NaOMe / methanol / 1 h / Heating

With sodium methylate; triethylamine; In methanol; ethanol; benzene;
DOI:10.1021/jm9608467