1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-

Base Information

Chemical Name:1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
CAS No.:22247-84-3
Molecular Formula:C9H10 N4 O2
Molecular Weight:206.2013
Hs Code.:
DSSTox Substance ID:DTXSID30176787
Wikidata:Q83047080
Mol file:22247-84-3.mol

Synonyms:22247-84-3;1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-;7-ethenyl-1,3-dimethylpurine-2,6-dione;ChemDiv3_001093;SCHEMBL9168121;DTXSID30176787;HMS1476B15;7-ethenyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;CCG-16317;STK002904;AKOS000662781;IDI1_020059;NCGC00172997-01;BRD-K75140779-001-01-6;7-ethenyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Suppliers and Price of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-

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 1 raw suppliers

Chemical Property of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-

Chemical Property:

Vapor Pressure:7.12E-07mmHg at 25°C
Boiling Point:408.2°Cat760mmHg
Flash Point:200.7°C
Density:1.37g/cm³
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:206.08037557
Heavy Atom Count:15
Complexity:330

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C=C

Technology Process of 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-

There total 6 articles about 1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl- 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: 55.0%

: 58-55-9,75448-53-2
theophylline

: C₁₄H₁₁S₂⁽¹⁺⁾*BF₄^(1-)

: 22247-84-3
1,3-dimethyl-7-vinyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 25 ℃; for 3h;
DOI:10.1021/jacs.1c06632

Reference yield:

: 5878-61-5
7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

: 22247-84-3
1,3-dimethyl-7-vinyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: With ethanol; sodium diethylmalonate;

Reference yield:

: 519-37-9
7-(2-hydroxyethyl)theophylline

: 22247-84-3
1,3-dimethyl-7-vinyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: benzene; SOCl₂

2: sodium compound of malonic acid diethyl ester; ethanol

With thionyl chloride; ethanol; sodium diethylmalonate; benzene;