1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-
• CAS No.: 72898-69-2
• Molecular Formula: C13H11ClN4O2
• Molecular Weight: 290.709
• DSSTox Substance ID: DTXSID20223193
• Wikidata: Q83101603

Synonyms:BRN 1152599;Theophylline, 7-(o-chlorophenyl)-;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-;72898-69-2;3,7-Dihydro-7-(2-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione;SCHEMBL5719318;DTXSID20223193;YRAOHHIWNBWNFO-UHFFFAOYSA-N;LS-126641;7-(2-Chlorophenyl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione

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

Chemical Property:

• Vapor Pressure: 7.2E-10mmHg at 25°C
• Boiling Point: 493.2°C at 760 mmHg
• Flash Point: 252.1°C
• Density: 1.48g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.0570533
• Heavy Atom Count: 20
• Complexity: 433

Purity/Quality:

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)C3=CC=CC=C3Cl

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

There total 3 articles about 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl- 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:

theophylline (58-55-9,75448-53-2) + 2-Chlorobenzeneboronic acid (3900-89-8) → 7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-69-2)

Guidance literature:

With pyridine; copper diacetate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

Reference yield:

theophylline (58-55-9,75448-53-2) + 2-Chlorobenzeneboronic acid (3900-89-8) + copper diacetate (142-71-2) → 7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-69-2)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide;

Reference yield:

→ 7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-69-2)

Guidance literature:

7-(Aminophenyl)-theophyllin (III),Hypophosphorsaeure,NaNO2;

upstream raw materials:

theophylline

2-Chlorobenzeneboronic acid

copper diacetate

Downstream raw materials:

8-chloro-7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

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