1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-
CAS No.:63908-24-7
Molecular Formula:C₁₃H₂₀N₄O₂
Molecular Weight:264.327
Hs Code.:
UNII:369S55T7DX
DSSTox Substance ID:DTXSID70213605
Nikkaji Number:J359.410F
Wikidata:Q83089090
ChEMBL ID:CHEMBL26350

Synonyms:1,3-Diisobutylxanthine;Xanthine, 1,3-diisobutyl-;BRN 1143460;CHEMBL26350;1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-;369S55T7DX;63908-24-7;3,7-Dihydro-1,3-bis(2-methylpropyl)-1H-purine-2,6-dione;1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione;D0T6XM;1,3-bis(2-methylpropyl)-7H-purine-2,6-dione;UNII-369S55T7DX;DTXSID70213605;BDBM50022731;PD179187;LS-126573;3,9-DIHYDRO-1,3-BIS(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE;1,3-BIS(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE;1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-BIS(2-METHYLPROPYL)-

Suppliers and Price of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-

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 0 raw suppliers

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-

Chemical Property:

Vapor Pressure:1.1E-08mmHg at 25°C
Boiling Point:461.1°Cat760mmHg
Flash Point:232.7°C
Density:1.175g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:264.15862589
Heavy Atom Count:19
Complexity:370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-

There total 4 articles about 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)- 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: 90.0%

: 64-18-6
formic acid

: 120562-82-5
1,3-diisobutyl-4,5-diaminouracil

: 63908-24-7
1,3-Diisobutylxanthine

Guidance literature:: formic acid; 1,3-diisobutyl-4,5-diaminouracil; for 1h; Reflux;

With sodium hydroxide; In ethanol; water; for 1h; Reflux;
DOI:10.1016/j.bmc.2008.10.049

Reference yield:

: 81250-36-4
1,3-diisobutyl-4-aminouracil

: 63908-24-7
1,3-Diisobutylxanthine

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

Reference yield:

: 1189-23-7
N,N'-di-isobutylurea

: 63908-24-7
1,3-Diisobutylxanthine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) acetic anhydride, 2.) 10percent aq. NaOH / 1.) 70 deg C, 2 h, 2.) from 20 to 70 deg C, 1 h

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

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

4: 2.) 2.2 M aq. NaOH / 1.) reflux, 2 h, 2.) reflux, 45 min

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