7-phenyl-7H-purine

Base Information

• Chemical Name: 7-phenyl-7H-purine
• CAS No.: 18346-05-9
• Molecular Formula: C11H8N4
• Molecular Weight: 196.20800
• DSSTox Substance ID: DTXSID50356367
• Wikidata: Q82135662
• Mol file: 18346-05-9.mol

Synonyms:7-phenyl-7H-purine;7-phenylpurine;18346-05-9;7H-Purine, 7-phenyl-;SCHEMBL6664459;DTXSID50356367;AKOS006278526;FT-0673826;AB-323/13887522;J-011746

Chemical Property of 7-phenyl-7H-purine

Chemical Property:

• Melting Point: 186°C
• PSA: 43.60000
• LogP: 1.81550
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 196.074896272
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

7-Phenyl-7H-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=NC=NC=C32
• Uses: 7-Phenyl-7H-purine (cas# 18346-05-9) is a compound useful in organic synthesis.

Technology Process of 7-phenyl-7H-purine

There total 4 articles about 7-phenyl-7H-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: 64.0%

bromobenzene (108-86-1,52753-63-6) + purine (120-73-0) → 9-phenyl-9H-purine (70786-03-7) + 7-phenyl-7H-purine (18346-05-9)

Guidance literature:

With N⁴,N⁷-bis(2-hydroxyethyl)-1,10-phenanthroline-4,7-diamine; sodium L-ascorbate; potassium hydroxide; copper(I) bromide; In water; N,N-dimethyl-formamide; at 120 ℃; for 48h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/c3cc48642g

Reference yield: 62.0%

iodobenzene (591-50-4) + purine (120-73-0) → 9-phenyl-9H-purine (70786-03-7) + 7-phenyl-7H-purine (18346-05-9)

Guidance literature:

With N⁴,N⁷-bis(2-hydroxyethyl)-1,10-phenanthroline-4,7-diamine; sodium L-ascorbate; potassium hydroxide; copper(I) bromide; In water; N,N-dimethyl-formamide; at 120 ℃; for 21h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/c3cc48642g

Reference yield: 30.0%

N-phenylglycinonitrile (3009-97-0) + formamidine acetic acid (3473-63-0) → 7-phenyl-7H-purine (18346-05-9)

Guidance literature:

In butan-1-ol; at 140 ℃; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.201600549

upstream raw materials:

N-phenylglycinonitrile

formamidine acetic acid

bromobenzene

purine

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