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

Base Information

• Chemical Name: 7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
• CAS No.: 23146-06-7
• Molecular Formula: C10H13 Br N4 O2
• Molecular Weight: 301.143
• Hs Code.: 2933990090
• European Community (EC) Number: 245-455-8
• DSSTox Substance ID: DTXSID00177726
• Nikkaji Number: J318.414E
• Wikidata: Q83048048
• Mol file: 23146-06-7.mol

Synonyms:23146-06-7;7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(3-bromopropyl)-1,3-dimethylpurine-2,6-dione;EINECS 245-455-8;7-(3-bromopropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;7-(3-bromopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione;C10H13BrN4O2;SCHEMBL3519782;DTXSID00177726;C10-H13-Br-N4-O2;YAA14606;3-(theophyllin-7-yl)propyl bromide;AS-71743;CS-0217102;W18863;EN300-6751030;AP-829/40863545;3,7-Dihydro-7-(3-bromopropyl)-1,3-dimethyl-1H-purine-2,6-dione

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

Chemical Property:

• Vapor Pressure: 1.5E-09mmHg at 25°C
• Boiling Point: 484.7°Cat760mmHg
• Flash Point: 246.9°C
• PSA: 61.82000
• Density: 1.68g/cm³
• LogP: 0.21870
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 300.02219
• Heavy Atom Count: 17
• Complexity: 338

Purity/Quality:

98%Min ^*data from raw suppliers

7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ^*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)CCCBr

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

There total 4 articles about 7-(3-Bromopropyl)-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: 98.0%

theophylline (58-55-9,75448-53-2) + 1,3-dibromo-propane (109-64-8) → 7-(3-bromo-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (23146-06-7)

Guidance literature:

With sodium hydroxide; Aliquat 336; for 2h; Heating;

Reference yield: 20.0%

theophylline (58-55-9,75448-53-2) + 1,3-dibromo-propane (109-64-8) → 7-(3-bromo-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (23146-06-7) + 1,3-bis(7-theophyllinyl)propane (98408-18-5)

Guidance literature:

With potassium carbonate; N,N,N-triethylbenzylammonium chloride; In acetone; for 3h; Heating;

Reference yield:

7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (23146-04-5) → 7-(3-bromo-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (23146-06-7)

Guidance literature:

With chloroform; phosphorus tribromide;

upstream raw materials:

7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

theophylline

1,3-dibromo-propane

Downstream raw materials:

Wy 49051

sesquihydrate

7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione