7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Base Information

Chemical Name:7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS No.:23146-05-6
Molecular Formula:C9H11BrN4O2
Molecular Weight:287.116
Hs Code.:2933990090
European Community (EC) Number:245-454-2
DSSTox Substance ID:DTXSID40177725
Nikkaji Number:J318.413G
Wikidata:Q72455572
Mol file:23146-05-6.mol

Synonyms:23146-05-6;7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(2-bromoethyl)theophylline;7-(2-bromoethyl)-1,3-dimethylpurine-2,6-dione;7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;7-(2-bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;EINECS 245-454-2;7-(2-bromoethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;7-(2-Bromoethyl)-theophylline;N7-bromoethyl theophylline;SCHEMBL6310598;DTXSID40177725;MFCD00450300;AKOS000716446;SR-01000312172;SR-01000312172-1;W-110558;3,7-Dihydro-7-(2-bromoethyl)-1,3-dimethyl-1H-purine-2,6-dione

Suppliers and Price of 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

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

Crysdot
7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 95+%
5g
$ 501.00

Chemenu
7-(2-bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 95%
5g
$ 473.00

American Custom Chemicals Corporation
1H-PURINE-2,6-DIONE, 7-(2-BROMOETHYL)-3,7-DIHYDRO-1,3-DIMETHYL- 95.00%
5MG
$ 495.40

Total 18 raw suppliers

Chemical Property of 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Chemical Property:

Vapor Pressure:4.28E-09mmHg at 25°C
Melting Point:144-144.5 °C(Solv: ligroine (8032-32-4))
Refractive Index:1.696
Boiling Point:472.4 °C at 760 mmHg
PKA:0.17±0.70(Predicted)
Flash Point:239.5 °C
PSA：61.82000
Density:1.76g/cm³
LogP:-0.17140
XLogP3:0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:286.00654
Heavy Atom Count:16
Complexity:325

Purity/Quality:

99.9% ^*data from raw suppliers

7-(2-Bromoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 95+% ^*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)N(C=N2)CCBr

Technology Process of 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

There total 4 articles about 7-(2-Bromoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 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: 83.0%

: 58-55-9,75448-53-2
theophylline

: 106-93-4
ethylene dibromide

: 23146-05-6
7-(2-bromoethyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dione

Guidance literature:: theophylline; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.166667h;

ethylene dibromide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 24h;