8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

Base Information

Chemical Name:8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
CAS No.:52482-62-9
Molecular Formula:C12H18N4O2
Molecular Weight:250.2969
Hs Code.:
NSC Number:101812
DSSTox Substance ID:DTXSID80295417
Mol file:52482-62-9.mol

Synonyms:52482-62-9;8-(sec-Butyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione;8-(butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;NSC101812;NCIOpen2_006995;DTXSID80295417;NSC-101812;8-(butan-2-yl)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of 8-(Butan-2-yl)-1,3,7-trimethyl-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 5 raw suppliers

Chemical Property of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

Chemical Property:

Vapor Pressure:2.81E-07mmHg at 25°C
Refractive Index:1.615
Boiling Point:420.4°Cat760mmHg
Flash Point:208.1°C
Density:1.27g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:250.14297583
Heavy Atom Count:18
Complexity:373

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Technology Process of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione

There total 3 articles about 8-(Butan-2-yl)-1,3,7-trimethyl-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: 53.0%

: 96-17-3,57456-98-1
2-Methylbutyraldehyde

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 52482-62-9
8-(1-methylpropyl)caffeine

Guidance literature:: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; With trifluoroacetic acid; In 1,2-dichloro-ethane; at 20 ℃; for 0.0833333h;

2-Methylbutyraldehyde; With oxygen; In 1,2-dichloro-ethane; at 0 - 115 ℃; for 46h; under 760.051 Torr;
DOI:10.1002/chem.201503809

Reference yield: 38.0%

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: diethyl 4-(sec-butyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

: 52482-62-9
8-(1-methylpropyl)caffeine

Guidance literature:: With sodium persulfate; trifluoroacetic acid; In water; acetonitrile; at 20 ℃; for 18h; Inert atmosphere;
DOI:10.1021/jacs.7b05899