1,3-Dibutylxanthine

Base Information

Chemical Name:1,3-Dibutylxanthine
CAS No.:2850-36-4
Molecular Formula:C13H20 N4 O2
Molecular Weight:264.327
Hs Code.:2933990090
NSC Number:515484
UNII:IR9D2UGY27
DSSTox Substance ID:DTXSID70182721
Nikkaji Number:J622.527F
Wikidata:Q27280865
ChEMBL ID:CHEMBL114770
Mol file:2850-36-4.mol

Synonyms:1,3-Dibutylxanthine;2850-36-4;1,3-Di-n-Butylxanthine;1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione;1,3-Dibutyl-3,7-dihydro-1H-purine-2,6-dione;1,3-dibutyl-7H-purine-2,6-dione;IR9D2UGY27;CHEMBL114770;NSC-515484;1,3-Dibutyl-3,7-dihydro-purine-2,6-dione;UNII-IR9D2UGY27;NSC515484;NSC 515484;1,3-di-n-butyl-xanthine;1,3-di-N-butyl xanthine;1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-;SCHEMBL3186630;DTXSID70182721;HDAPVDGMACVEKL-UHFFFAOYSA-N;BDBM50037424;AKOS016001318;AKOS025116986;FT-0606634;1,3-dibutyl-1H-purine-2,6(3H,9H)-dione;A876704;Q27280865;1,3-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of 1,3-Dibutylxanthine

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-Dibutylxanthine
10g
$ 65.00

TRC
1,3-Dibutylxanthine
1g
$ 55.00

Crysdot
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione 98%
500g
$ 387.00

Chemenu
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione 98%
500g
$ 366.00

Biosynth Carbosynth
1,3-Dibutylxanthine
100 mg
$ 255.00

Biosynth Carbosynth
1,3-Dibutylxanthine
50 mg
$ 140.00

Biosynth Carbosynth
1,3-Dibutylxanthine
250 mg
$ 462.50

Biosynth Carbosynth
1,3-Dibutylxanthine
1 g
$ 1528.80

Biosynth Carbosynth
1,3-Dibutylxanthine
500 mg
$ 840.00

American Custom Chemicals Corporation
1,3-DI-N-BUTYLXANTHINE 95.00%
1G
$ 1871.10

Total 19 raw suppliers

Chemical Property of 1,3-Dibutylxanthine

Chemical Property:

Vapor Pressure:3.54E-09mmHg at 25°C
Melting Point:185-188°C
Boiling Point:474.7°Cat760mmHg
Flash Point:240.9°C
PSA：72.68000
Density:1.179g/cm³
LogP:1.48650
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:264.15862589
Heavy Atom Count:19
Complexity:348

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dibutylxanthine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22
Safety Statements: 22-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC=N2
Uses Denbefylline intermediate

Technology Process of 1,3-Dibutylxanthine

There total 8 articles about 1,3-Dibutylxanthine 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: 72.0%

: 2850-36-4
1,3-dibutylxanthine

Guidance literature:

Reference yield:

: 132716-86-0
6-amino-1,3-di-n-butyl-5-nitroso-uracil

: 2850-36-4
1,3-dibutylxanthine

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 5percent Pd/C / dimethylformamide / 2 h / 2585.7 Torr

2: 1.) 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, 2.) aq. NaOH / 1.) DMF, RT, 3 h, 2.) reflux, 1 h

With sodium hydroxide; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In N,N-dimethyl-formamide;
DOI:10.1021/jm00046a022

Reference yield:

: 1792-17-2
N,N'-di-n-butylurea

: 2850-36-4
1,3-dibutylxanthine

Guidance literature:: Multi-step reaction with 5 steps

1: acetic anhydride / 2 h / 80 °C

2: aq. NaOH / methanol / 0.5 h

3: 82.6 percent / glacial acetic acid, aq. HCl, NaNO₂ / H₂O / 0.5 h

4: H₂ / 5percent Pd/C / dimethylformamide / 2 h / 2585.7 Torr

5: 1.) 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, 2.) aq. NaOH / 1.) DMF, RT, 3 h, 2.) reflux, 1 h

With hydrogenchloride; sodium hydroxide; hydrogen; acetic anhydride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium nitrite; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00046a022