8-Benzyltheophylline

Base Information

Chemical Name:8-Benzyltheophylline
CAS No.:2879-15-4
Molecular Formula:C14H14N4O2
Molecular Weight:270.291
Hs Code.:2933990090
European Community (EC) Number:220-725-8
NSC Number:14131
DSSTox Substance ID:DTXSID40182970
Nikkaji Number:J306.800E
Wikidata:Q72443101
ChEMBL ID:CHEMBL105861
Mol file:2879-15-4.mol

Synonyms:8-Benzyltheophylline;2879-15-4;Theophylline, 8-benzyl-;8-benzyl-1,3-dimethyl-7H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-;EINECS 220-725-8;NSC 14131;8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;CHEMBL105861;8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;8-Benzyl-1,3-dimethyl-5,9-dihydro-4H-purine-2,6-dione;8-Benzyltheophyline;NSC14131;Oprea1_363271;SCHEMBL516456;DTXSID40182970;BDBM50014530;MFCD00067027;NSC-14131;AKOS015961339;AKOS037643320;AM84891;AC-13626;AS-13814;LS-149421;B5078;D95902;A819593;W-107028;8-Benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;8-Benzyl-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione;8-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;8-Benzyl-1,1,3-trimethyl-3,9-dihydro-purine-2,6-dione(Benzyl Theophylline)

Suppliers and Price of 8-Benzyltheophylline

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
8-Benzyltheophylline
25mg
$ 80.00

TRC
8-Benzyltheophylline
50mg
$ 110.00

TCI Chemical
8-Benzyltheophylline
25G
$ 562.00

TCI Chemical
8-Benzyltheophylline
5G
$ 162.00

Crysdot
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 97%
10g
$ 418.00

Crysdot
8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 97%
25g
$ 752.00

Chem-Impex
8-Benzyltheophylline,≥99%(HPLC) ≥99%(HPLC)
25G
$ 642.49

Chemenu
8-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 97%
25g
$ 711.00

Chemenu
8-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 97%
10g
$ 395.00

Biosynth Carbosynth
8-Benzyltheophylline
25 mg
$ 157.50

Total 38 raw suppliers

Chemical Property of 8-Benzyltheophylline

Chemical Property:

Vapor Pressure:2.02E-12mmHg at 25°C
Melting Point:298-300oC
Refractive Index:1.635
Boiling Point:556.486 °C at 760 mmHg
PKA:8.99±0.70(Predicted)
Flash Point:290.353 °C
PSA：72.68000
Density:1.336 g/cm³
LogP:0.55110
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly, Heated), Methanol (Slightly, Heated)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:270.11167570
Heavy Atom Count:20
Complexity:408

Purity/Quality:

99% ^*data from raw suppliers

8-Benzyltheophylline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3
Uses 8-Benzyltheophylline is an intermediate of Bamifylline (2016-63-9) which is a selective adenosine A1 receptor antagonist.

Technology Process of 8-Benzyltheophylline

There total 11 articles about 8-Benzyltheophylline 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: 48.0%

: C₁₄H₁₆N₄O₂

: 2879-15-4
8-benzyltheophylline

Guidance literature:: With copper(l) iodide; oxygen; In dimethyl sulfoxide; at 120 ℃; for 18h; Reagent/catalyst; Inert atmosphere;
DOI:10.1002/cssc.201601483