1-Propylxanthine

Base Information

Chemical Name:1-Propylxanthine
CAS No.:104285-82-7
Molecular Formula:C₈H₁₀N₄O₂
Molecular Weight:194.193
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10146367
Nikkaji Number:J515.237B
Wikidata:Q83011171
ChEMBL ID:CHEMBL39986
Mol file:104285-82-7.mol

Synonyms:1-propylxanthine

Suppliers and Price of 1-Propylxanthine

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 1-Propylxanthine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：83.80000
Density:1.367g/cm³
LogP:0.23520
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:194.08037557
Heavy Atom Count:14
Complexity:268

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C(=O)C2=C(NC1=O)N=CN2

Technology Process of 1-Propylxanthine

There total 7 articles about 1-Propylxanthine 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: 82.0%

: 64-18-6
formic acid

: 142665-13-2
5,6-diamino-3-propyluracil

: 104285-82-7
1-Propylxanthine

Guidance literature:: With sodium formate; for 25h; Heating; triethyl orthoformate instead of formic acid; other substrates;

Reference yield: 54.0%

: 1027572-70-8
3,7-Bis-(4-methoxy-benzyl)-1-propyl-3,7-dihydro-purine-2,6-dione

: 104285-82-7
1-Propylxanthine

Guidance literature:: With sulfuric acid; methoxybenzene; In trifluoroacetic acid; for 26h; Heating;
DOI:10.1021/jm00100a008

Reference yield:

: 143958-70-7
3,7-dihydro-3-(4-methoxybenzyl)-1H-purine-2,6-dione

: 104285-82-7
1-Propylxanthine

Guidance literature:: Multi-step reaction with 3 steps

1: 72 percent / K₂CO₃ / dimethylformamide / 1 h / 60 °C

2: K₂CO₃ / dimethylformamide / 13 h / 70 °C

3: 54 percent / conc. H₂SO₄, anisole / trifluoroacetic acid / 26 h / Heating

With sulfuric acid; potassium carbonate; methoxybenzene; In N,N-dimethyl-formamide; trifluoroacetic acid;
DOI:10.1021/jm00100a008