N(2)-phenylguanine

Base Information

• Chemical Name: N(2)-phenylguanine
• CAS No.: 40769-49-1
• Molecular Formula: C11H9 N5 O
• Molecular Weight: 227.225
• Hs Code.: 2933990090
• Mol file: 40769-49-1.mol

Synonyms:6H-Purin-6-one,1,7-dihydro-2-(phenylamino)- (9CI); Guanine, N-phenyl- (6CI);2-Anilino-6-hydroxypurine

Chemical Property of N(2)-phenylguanine

Chemical Property:

• Vapor Pressure: 1.1E-11mmHg at 25°C
• Boiling Point: 539°Cat760mmHg
• Flash Point: 279.7°C
• PSA: 89.95000
• Density: 1.56g/cm³
• LogP: 1.22400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N(2)-phenylguanine

There total 6 articles about N(2)-phenylguanine 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: 92.0%

7-Benzyl-2-phenylamino-1,7-dihydro-purin-6-one (179816-06-9) → 2-anilino-1,7-dihydro-purin-6-one (40769-49-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In water; at 85 - 90 ℃;

DOI:10.1007/bf01169255

Reference yield: 73.0%

2-bromo-1,9-dihydro-6H-purin-6-one (87781-93-9) + aniline (62-53-3) → N2-phenylguanine 2,2,2-trifluoroacetate (40769-49-1)

Guidance literature:

With trifluoroacetic acid; In 1,1,2-Trichloro-1,2,2-trifluoroethane; for 24h; Inert atmosphere; Reflux;

DOI:10.1002/chem.201304336

Reference yield:

7-benzyl-2-chloro-1,7-dihydro-purin-6-one (56025-88-8) → 2-anilino-1,7-dihydro-purin-6-one (40769-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / 1.67 h / Heating

2: 92 percent / H₂, conc. HCl / Pd/C / H₂O / 85 - 90 °C

With hydrogenchloride; hydrogen; palladium on activated charcoal; In water;

DOI:10.1007/bf01169255

upstream raw materials:

2-methylsulfanyl-1,7⁽⁹⁾-dihydro-purin-6-one

aniline

7-Benzyl-2-phenylamino-1,7-dihydro-purin-6-one

7-benzyl-2-chloro-1,7-dihydro-purin-6-one

Downstream raw materials:

9-(2-deoxy-3,5-di(p-toluoyl)-β-D-ribofuranosyl)-2-anilino-6-chloropurine

7-(2-deoxy-3,5-di(p-toluoyl)-β-D-ribofuranosyl)-2-anilino-6-chloropurine

2-anilino-6-chloropurine sodium salt

2-anilino-6-chloro-9-(2-deoxy-β-D-ribofuranosyl)purine