2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate

Base Information

• Chemical Name: 2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate
• CAS No.: 524-35-6
• Molecular Formula: C7H9 N5 O
• Molecular Weight: 179.181
• Hs Code.: 2933990090
• European Community (EC) Number: 208-356-0
• DSSTox Substance ID: DTXSID60966810
• Nikkaji Number: J182.285C
• NSC Number: 54247
• Wikidata: Q82949230
• Mol file: 524-35-6.mol

Synonyms:524-35-6;2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate;2-amino-7,9-dimethylpurin-9-ium-6-olate;4-Formylbenzenesulfonylchloride;524-35-6 (free acid);7,9-Dimethylguanine (>80%);DTXSID60966810;NSC54247;NSC-54247;AKOS006292420;2-amino-7,9-dimethyl-6-purin-9-iumolate;2-azanyl-7,9-dimethyl-purin-9-ium-6-olate;FT-0667452;2-amino-7,9-dimethyl-9H-purin-1-ium-6-olate;A829083;W-202971;2-Imino-7,9-dimethyl-3,9-dihydro-2H-purin-7-ium-6-olate;2-Amino-6,9-dihydro-7,9-dimethyl-6-oxo-1H-purimium,inner salt;1H-Purinium,2-amino-6,9-dihydro-7,9-dimethyl-6-oxo-, hydroxide, inner salt

Chemical Property of 2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 83.67000
• Density: g/cm³
• LogP: 0.10000
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 179.08070993
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

7,9-Dimethylguanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])C

Technology Process of 2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate

There total 4 articles about 2-Amino-7,9-dimethyl-9H-purin-7-ium-6-olate 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:

dimethyl sulfate (77-78-1) + guanine (73-40-5) → 7,9-dimethylguanine (524-35-6)

Guidance literature:

dimethyl sulfate; guanine;

With ammonia; In water;

Reference yield:

→ 7,9-dimethylguanine (524-35-6)

Guidance literature:

With sulfuric acid; silver sulfate; dann mit Barytwasser;

DOI:10.1515/bchm2.1957.308.1.270

Reference yield:

sulfuric acid (7664-93-9) + 2-amino-7,9-dimethyl-6-oxo-1,6-dihydro-purinium; chloride → 7,9-dimethylguanine (524-35-6)

Guidance literature:

dann mit Barytwasser;

DOI:10.1515/bchm2.1957.308.1.270

upstream raw materials:

sulfuric acid

dimethyl sulfate

guanine

Refernces

• 1、 -. "METAL COMPLEXES OF N-HETEROCYCLIC CARBENES AS RADIOPHARMACEUTICALS AND ANTIBIOTICS". Page/Page column 32. . Retrieved 2010/02/11.