1-Propyl-3-butyl-8-methylxanthine

Base Information

Chemical Name:1-Propyl-3-butyl-8-methylxanthine
CAS No.:81250-24-0
Molecular Formula:C₁₃H₂₀N₄O₂
Molecular Weight:264.327
Hs Code.:
DSSTox Substance ID:DTXSID60230982
Nikkaji Number:J2.025.869A
Wikidata:Q83111774
ChEMBL ID:CHEMBL118767
Mol file:81250-24-0.mol

Synonyms:1-Propyl-3-butyl-8-methylxanthine;81250-24-0;1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-;3,7-Dihydro-3-butyl-8-methyl-1-propyl-1H-purine-2,6-dione;3-Butyl-8-methyl-1-propyl-3,7-dihydro-1H-purine-2,6-dione;CHEMBL118767;SCHEMBL10859893;DTXSID60230982;QMRNVBQRDCPVDY-UHFFFAOYSA-N;1-propyl-3-butyl-8-methyl xanthine;LS-126624;1-Propyl-3-butyl-8-methyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione;3-butyl-8-methyl-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of 1-Propyl-3-butyl-8-methylxanthine

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 1-Propyl-3-butyl-8-methylxanthine

Chemical Property:

Vapor Pressure:1.54E-09mmHg at 25°C
Boiling Point:484.4°Cat760mmHg
Flash Point:246.8°C
PSA：72.68000
Density:1.18g/cm³
LogP:1.40480
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:264.15862589
Heavy Atom Count:19
Complexity:361

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C

Technology Process of 1-Propyl-3-butyl-8-methylxanthine

There total 4 articles about 1-Propyl-3-butyl-8-methylxanthine 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:

: 81250-14-8
1-allyl-3-butyl-8-methyl xanthine

: 81250-24-0
1-propyl-3-butyl-8-methyl xanthine

Guidance literature:: In ethanol;

Reference yield:

: 53681-49-5
6-amino-1-n-butyl-1,3-dihydropyrimidine-2,4-dione

: 81250-24-0
1-propyl-3-butyl-8-methyl xanthine

Guidance literature:: Multi-step reaction with 3 steps

1.1: HMDS; (NH₄)2SO₄ / Heating

1.2: Heating

2.1: aq. NaNO₂; HOAc

2.2: Na₂S₂O₄; NH₄OH / 85 - 95 °C

3.1: Heating

With ammonium sulfate; acetic acid; 1,1,1,3,3,3-hexamethyl-disilazane; sodium nitrite;
DOI:10.1016/S0960-894X(03)00722-4

Reference yield:

: 628279-10-7
6-amino-1-butyl-3-propyl-1H-pyrimidine-2,4-dione

: 81250-24-0
1-propyl-3-butyl-8-methyl xanthine

Guidance literature:: Multi-step reaction with 2 steps

1.1: aq. NaNO₂; HOAc

1.2: Na₂S₂O₄; NH₄OH / 85 - 95 °C

2.1: Heating

With acetic acid; sodium nitrite;
DOI:10.1016/S0960-894X(03)00722-4