1-methyl-3-propyl-7H-purine-2,6-dione

Base Information

Chemical Name:1-methyl-3-propyl-7H-purine-2,6-dione
CAS No.:118024-67-2
Molecular Formula:C₉H₁₂N₄O₂
Molecular Weight:208.22
Hs Code.:
UNII:DWZ57272FA
DSSTox Substance ID:DTXSID10879542
Nikkaji Number:J361.813G
Wikidata:Q76524785
ChEMBL ID:CHEMBL286976
Mol file:118024-67-2.mol

Synonyms:1-methyl-3-propylxanthine;1-MPX

Suppliers and Price of 1-methyl-3-propyl-7H-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

American Custom Chemicals Corporation
1-METHYL-3-PROPYLXANTHINE 95.00%
5MG
$ 504.37

AccelPharmtech
3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione 97.00%
5G
$ 5360.00

Total 2 raw suppliers

Chemical Property of 1-methyl-3-propyl-7H-purine-2,6-dione

Chemical Property:

Vapor Pressure:2.58E-08mmHg at 25°C
Boiling Point:450.7°Cat760mmHg
Flash Point:226.4°C
PSA：72.68000
Density:1.326g/cm³
LogP:-0.16670
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.09602564
Heavy Atom Count:15
Complexity:294

Purity/Quality:

96% ^*data from raw suppliers

1-METHYL-3-PROPYLXANTHINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)C)NC=N2

Technology Process of 1-methyl-3-propyl-7H-purine-2,6-dione

There total 8 articles about 1-methyl-3-propyl-7H-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: 81.0%

: 141357-40-6
1-methyl-3-propyl-9-aminoxanthine

: 118024-67-2
1-methyl-3-propylxanthine

Guidance literature:: With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h;

Reference yield: 39.0%

: 125292-26-4
N-(6-Amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-formamide

: 118024-67-2
1-methyl-3-propylxanthine

Guidance literature:: With sodium hydroxide; for 1.5h; Heating;
DOI:10.1021/jm00100a008

Reference yield:

: 53681-48-4
6-amino-3-methyl-1-propyl-1H-pyrimidine-2,4-dione

: 118024-67-2
1-methyl-3-propylxanthine

Guidance literature:: Multi-step reaction with 3 steps

1: NaNO₂, AcOH / H₂O / 2 h / Ambient temperature

2: Na₂S₂O₄, 25percent aq. NH₄OH / 20 - 50 °C

3: 2.) 2.2 M aq. NaOH / 1.) reflux, 2 h, 2.) reflux, 45 min

With ammonium hydroxide; sodium hydroxide; sodium dithionite; acetic acid; sodium nitrite; In water;
DOI:10.1016/0223-5234(90)90130-U