2,6-Dichloro-9-phenyl-9h-purine

Base Information

• Chemical Name: 2,6-Dichloro-9-phenyl-9h-purine
• CAS No.: 6971-26-2
• Molecular Formula: C11H6Cl2N4
• Molecular Weight: 265.101
• NSC Number: 19098
• DSSTox Substance ID: DTXSID60280927
• Nikkaji Number: J1.632.517A
• Wikidata: Q82014612
• ChEMBL ID: CHEMBL1901586
• Mol file: 6971-26-2.mol

Synonyms:2,6-dichloro-9-phenyl-9h-purine;6971-26-2;MLS002638662;SMR001548132;2,6-dichloro-9-phenylpurine;2,6-dichloro-9-phenyl-purine;NSC19098;cid_227494;SCHEMBL9383398;CHEMBL1901586;BDBM96037;DTXSID60280927;HMS3095C20;NSC-19098;2,6-bis(chloranyl)-9-phenyl-purine

Chemical Property of 2,6-Dichloro-9-phenyl-9h-purine

Chemical Property:

• Vapor Pressure: 8.27E-07mmHg at 25°C
• Boiling Point: 406.2°Cat760mmHg
• Flash Point: 199.5°C
• Density: 1.58g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.9969516
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3Cl)Cl

Technology Process of 2,6-Dichloro-9-phenyl-9h-purine

There total 9 articles about 2,6-Dichloro-9-phenyl-9h-purine 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: 99.0%

diphenyliodonium chloride (1483-72-3) + 2,6 dichloropurine (5451-40-1) → 2,6-dichloro-9-(4-methylphenyl)-purine (6971-26-2)

Guidance literature:

With potassium carbonate; copper(I) bromide; In dichloromethane; for 2.5h; regioselective reaction; Reflux; Inert atmosphere;

DOI:10.1039/c1ob05333g

Reference yield: 70.0%

Diphenyliodonium triflate (66003-76-7) + 2,6 dichloropurine (5451-40-1) → 2,6-dichloro-9-(4-methylphenyl)-purine (6971-26-2)

Guidance literature:

With potassium carbonate; copper(I) bromide; In dichloromethane; at 35 ℃; for 4h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00918

Reference yield: 14.0%

→ 2,6-dichloro-9-(4-methylphenyl)-purine (6971-26-2)

Guidance literature:

With copper diacetate; triethylamine; In N,N-dimethyl-formamide; Molecular sieve;

upstream raw materials:

9-phenyl-3,9-dihydro-purine-2,6-dione

9-phenyl-8-thio-uric acid

9-phenyl-3,9-dihydro-purine-2,6-dione

diphenyliodonium chloride

Downstream raw materials:

9-phenyl-3,9-dihydro-purine-2,6-dithione

2-chloro-9-phenyl-1,9-dihydro-purin-6-one

(S)-β-<(9-phenyl-2-chloro-1H-purin-6-yl)amino>benzenepropanol

(R)-β-<(9-phenyl-2-chloro-1H-purin-6-yl)amino>benzenepropanol