1,3,7,8-Tetramethylxanthine

Base Information

Chemical Name:1,3,7,8-Tetramethylxanthine
CAS No.:832-66-6
Molecular Formula:C9H12 N4 O2
Molecular Weight:208.22
Hs Code.:
DSSTox Substance ID:DTXSID70232215
Nikkaji Number:J107.264A
Wikidata:Q72489060
ChEMBL ID:CHEMBL87121
Mol file:832-66-6.mol

Synonyms:1-methylcaffeine

Suppliers and Price of 1,3,7,8-Tetramethylxanthine

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

TRC
1,3,7,8-Tetramethylzanthine
50mg
$ 60.00

Matrix Scientific
1,3,7,8-Tetramethylxanthine 95+%
5g
$ 759.00

Matrix Scientific
1,3,7,8-Tetramethylxanthine 95+%
1g
$ 278.00

Crysdot
1,3,7,8-Tetramethylxanthine 95+%
25g
$ 228.00

Chemenu
1,3,7,8-Tetramethylxanthine 95%
25g
$ 215.00

Chemenu
1,3,7,8-Tetramethylxanthine 95%
10g
$ 117.00

American Custom Chemicals Corporation
8-METHYLCAFFEINE 95.00%
5G
$ 1584.66

American Custom Chemicals Corporation
8-METHYLCAFFEINE 95.00%
1G
$ 253.05

AK Scientific
1,3,7,8-Tetramethylxanthine
1g
$ 94.00

Total 51 raw suppliers

Chemical Property of 1,3,7,8-Tetramethylxanthine

Chemical Property:

Vapor Pressure:5.89E-07mmHg at 25°C
Melting Point:210～211℃
Refractive Index:1.6590 (estimate)
Boiling Point:410.7 °C at 760 mmHg
Flash Point:202.2 °C
PSA：61.82000
Density:1.4 g/cm³
LogP:-0.72090
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:2.175g/L(20 oC)
XLogP3:0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:208.09602564
Heavy Atom Count:15
Complexity:319

Purity/Quality:

97% ^*data from raw suppliers

1,3,7,8-Tetramethylzanthine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Technology Process of 1,3,7,8-Tetramethylxanthine

There total 14 articles about 1,3,7,8-Tetramethylxanthine 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: 65.0%

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 25554-84-1
2-(ethoxycarbonothioylthio)acetic acid

: 832-66-6
8-methylcaffeine

Guidance literature:: With dilauryl peroxide; In ethyl acetate; for 6h; Reflux; Inert atmosphere;
DOI:10.1021/acs.orglett.8b00190

Reference yield: 52.0%

: 107-71-1
tert-butyl peroxyacetate

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 832-66-6
8-methylcaffeine

Guidance literature:: With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; trifluoroacetic acid; In acetonitrile; at 30 ℃; Inert atmosphere; Irradiation;
DOI:10.1002/anie.201402023