1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-
• CAS No.: 72898-71-6
• Molecular Formula: C13H10Cl2N4O2
• Molecular Weight: 325.154
• DSSTox Substance ID: DTXSID40223195
• Wikidata: Q83101606

Synonyms:BRN 1164540;Theophylline, 8-chloro-7-(o-chlorophenyl)-;1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-;3,7-Dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione;72898-71-6;C13H10Cl2N4O2;SCHEMBL5719315;DTXSID40223195;RWHPOTBMOSSRON-UHFFFAOYSA-N;C13-H10-Cl2-N4-O2;LS-126631;8-Chloro-7-(2-chlorophenyl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-

Chemical Property:

• Vapor Pressure: 1.64E-11mmHg at 25°C
• Boiling Point: 534.7°C at 760 mmHg
• Flash Point: 277.2°C
• Density: 1.58g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 324.0180810
• Heavy Atom Count: 21
• Complexity: 464

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)Cl)C3=CC=CC=C3Cl

Technology Process of 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-7-(2-chlorophenyl)-1,3-dimethyl-

There total 2 articles about 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-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:

7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-69-2) → 8-chloro-7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-71-6)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide;

Reference yield:

→ 8-chloro-7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-71-6)

Guidance literature:

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

Reference yield:

8-chloro-7-(2-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (72898-71-6) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-[7-(2-Chlorophenyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester (586408-18-6)

Guidance literature:

upstream raw materials:

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

Downstream raw materials:

4-[7-(2-Chlorophenyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

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