2-amino-9-(2-methylpropyl)-3H-purin-6-one

Base Information

• Chemical Name: 2-amino-9-(2-methylpropyl)-3H-purin-6-one
• CAS No.: 93692-99-0
• Molecular Formula: C₉H₁₃N₅O
• Molecular Weight: 207.235
• Hs Code.: 2933990090
• Mol file: 93692-99-0.mol

Synonyms:Guanine,9-isobutyl- (6CI,7CI); 9-Isobutylguanine; NSC 22770

Chemical Property of 2-amino-9-(2-methylpropyl)-3H-purin-6-one

Chemical Property:

• Vapor Pressure: 6.03E-09mmHg at 25°C
• Boiling Point: 468.3°C at 760 mmHg
• Flash Point: 237°C
• PSA: 89.59000
• Density: 1.5g/cm³
• LogP: 0.93900

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-amino-9-(2-methylpropyl)-3H-purin-6-one

There total 5 articles about 2-amino-9-(2-methylpropyl)-3H-purin-6-one 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:

2,5-diamino-1H-pyrimidine-4,6-dione (527-57-1) + isobutyl isothiocyanate (591-82-2) → 9-isobutylguanine (93692-99-0)

Guidance literature:

With sodium hydroxide; und Erhitzen des Reaktionsprodukts mit konz.wss.HCl und anschliessend Erwaermen mit Raney-Nickel in wss.NaOH;

DOI:10.1021/ja01544a044

Reference yield:

2-amino-6-chloro-pyrimidine-4,5-dione-5-phenylhydrazone + isobutylamine (78-81-9) → 9-isobutylguanine (93692-99-0)

Guidance literature:

With ethanol; dann mit Na₂S₂O₄ in wss.NaOH und mit Formamid;

DOI:10.1021/ja01521a034

Reference yield:

2-Amino-6-chloropurin (10310-21-1) → 9-Isobutyl-2-amino-6-hydroxy-9H-purin (93692-99-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 2.5 h / 20 °C

2: hydrogenchloride; water / 3 h / Reflux

With hydrogenchloride; water; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1007/s00044-018-2275-9

upstream raw materials:

2,5-diamino-1H-pyrimidine-4,6-dione

isobutyl isothiocyanate

isobutylamine

2-Amino-6-chloropurin

Refernces