1-(4'-Carboxybutyl)-3,7-dimethylxanthine

Base Information

Chemical Name:1-(4'-Carboxybutyl)-3,7-dimethylxanthine
CAS No.:38975-44-9
Molecular Formula:C12H16N4O4
Molecular Weight:280.2798
Hs Code.:2933990090
European Community (EC) Number:809-318-1
UNII:O96A21QV23
DSSTox Substance ID:DTXSID50192262
Nikkaji Number:J470.530K
Wikidata:Q27285505
Mol file:38975-44-9.mol

Synonyms:1-(4'-carboxybutyl)-3,7-dimethylxanthine;3,7-dimetyl -1(4-carboxybutyl)xanthine;CB-DMX

Suppliers and Price of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine

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-(4-Carboxybutyl)-3,7-dimethylxanthine
2.5mg
$ 310.00

Adipogen Life Sciences
1-(4'-Carboxybutyl)-3,7-dimethylxanthine ≥97%(HPLC)
25 mg
$ 212.00

Total 4 raw suppliers

Chemical Property of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine

Chemical Property:

Vapor Pressure:6.41E-14mmHg at 25°C
Melting Point:201 - 203°C
Boiling Point:571.9°Cat760mmHg
Flash Point:299.7°C
PSA：99.12000
Density:1.44g/cm³
LogP:-0.31140
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:280.11715500
Heavy Atom Count:20
Complexity:428

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Carboxybutyl)-3,7-dimethylxanthine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O
Uses 1-(4-Carboxybutyl)-3,7-dimethylxanthine is a main metabolite of Pentoxifylline (P276500); a compound that increases erythrocyte flexibility, reduces blood viscosity, and inhibits platelet aggregation and can thus be used in the treatment of peripheral vascular disease.

Technology Process of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine

There total 2 articles about 1-(4'-Carboxybutyl)-3,7-dimethylxanthine 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:

: 83-67-0
theobromine /

: 2067-33-6
5-bromopentanoic acid

: 38975-44-9
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-purine-2,6-dione

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 18h;

Reference yield:

: 38975-44-9
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-purine-2,6-dione

Guidance literature:

Reference yield: 77.0%

: 38975-44-9
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-purine-2,6-dione

: ({2-[2-(2-amino-ethoxy)-ethoxy]-ethyl}-benzyloxycarbonyl-amino)-acetic acid benzyl ester; compound with trifluoro-acetic acid

: 1009086-36-5
C₃₅H₄₄N₆O₉

Guidance literature:: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-purine-2,6-dione; ({2-[2-(2-amino-ethoxy)-ethoxy]-ethyl}-benzyloxycarbonyl-amino)-acetic acid benzyl ester; compound with trifluoro-acetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-purine-2,6-dione; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Further stages.;
DOI:10.1016/j.bmcl.2007.11.004