6-Chloro-9-phenyl-9h-purine

Base Information

• Chemical Name: 6-Chloro-9-phenyl-9h-purine
• CAS No.: 5470-24-6
• Molecular Formula: C14H16N2O3
• Molecular Weight: 230.656
• Hs Code.: 2933990090
• European Community (EC) Number: 870-068-1
• NSC Number: 26291
• DSSTox Substance ID: DTXSID30969999
• Nikkaji Number: J956.845J
• Wikidata: Q82953075
• Mol file: 5470-24-6.mol

Synonyms:6-chloro-9-phenyl-9h-purine;5470-24-6;6-chloro-9-phenylpurine;NSC26291;SCHEMBL9150129;DTXSID30969999;AMY21243;NSC-26291;C91143;EN300-220298;Z2050027011

Chemical Property of 6-Chloro-9-phenyl-9h-purine

Chemical Property:

• Vapor Pressure: 6.31E-08mmHg at 25°C
• Boiling Point: 417.5°Cat760mmHg
• Flash Point: 206.3°C
• PSA: 43.60000
• Density: 1.45g/cm³
• LogP: 2.46890
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.0359239
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-9-phenyl-9H-purine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-9-phenyl-9h-purine

There total 9 articles about 6-Chloro-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) + 6-chloropurine (87-42-3) → 6-Chloro-9-phenyl-9H-purine (5470-24-6)

Guidance literature:

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

DOI:10.1039/c1ob05333g

Reference yield: 81.0%

→ 6-Chloro-9-phenyl-9H-purine (5470-24-6)

Guidance literature:

With 3-aminopropyltriethoxysilane; In 1,4-dioxane; for 18h; Inert atmosphere; Reflux;

In 1,4-dioxane; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

Reference yield: 79.7%

1,9-dihydro-9-phenyl-6H-purin-6-one (6334-42-5) → 6-Chloro-9-phenyl-9H-purine (5470-24-6)

Guidance literature:

With trichlorophosphate; for 1h; Heating;

upstream raw materials:

1,9-dihydro-9-phenyl-6H-purin-6-one

6-chloropurine

phenylboronic acid

aniline

Downstream raw materials:

dimethyl-(9-phenyl-9H-purin-6-yl)-amine

1,9-dihydro-9-phenyl-6H-purine-6-thione

methyl-(9-phenyl-9H-purin-6-yl)-amine

N⁶-(1-phenyl-2(S)-propyl)-9-phenyladenine