1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-
CAS No.:81250-28-4
Molecular Formula:C₁₄H₂₂N₄O₂
Molecular Weight:278.354
Hs Code.:
DSSTox Substance ID:DTXSID80230984
Nikkaji Number:J359.411D
Wikidata:Q83111778
Mol file:81250-28-4.mol

Synonyms:1,3-Diisobutyl-8-methylxanthine;81250-28-4;BRN 4198152;Xanthine, 1,3-diisobutyl-8-methyl-;1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-;1,3-Diisobutyl-8-methyl-3,7-dihydro-1H-purine-2,6-dione;3,7-Dihydro-1,3-bis(2-methylpropyl)-8-methyl-1H-purine-2,6-dione;SCHEMBL2917587;DTXSID80230984;LS-126575;8-methyl-1,3-bis(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-

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
1,3-DIISOBUTYL-8-METHYLXANTHINE 95.00%
5MG
$ 499.40

Total 3 raw suppliers

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-

Chemical Property:

Vapor Pressure:2.36E-09mmHg at 25°C
Boiling Point:479.4°Cat760mmHg
Flash Point:243.8°C
PSA：72.68000
Density:1.154g/cm³
LogP:1.50670
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:278.17427596
Heavy Atom Count:20
Complexity:397

Purity/Quality:: 1,3-DIISOBUTYL-8-METHYLXANTHINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC(C)C

Technology Process of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl-

There total 5 articles about 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-methyl- 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:

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

: 81250-28-4
1,3-diisobutyl-8-methylxanthine

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

: 81250-28-4
1,3-diisobutyl-8-methylxanthine

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

Reference yield:

: 120562-81-4
1,3-diisobutyl-4-amino-5-nitrosouracil

: 81250-28-4
1,3-diisobutyl-8-methylxanthine

Guidance literature:: Multi-step reaction with 2 steps

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

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

With ammonium hydroxide; sodium hydroxide; sodium dithionite;
DOI:10.1016/0223-5234(90)90130-U