9-Methyl-6-(methylthio)-9H-purine

Base Information

• Chemical Name: 9-Methyl-6-(methylthio)-9H-purine
• CAS No.: 1127-75-9
• Molecular Formula: C₇H₈N₄S
• Molecular Weight: 180.233
• Hs Code.: 2933990090
• NSC Number: 38302
• DSSTox Substance ID: DTXSID30150143
• Nikkaji Number: J80.187I
• Wikidata: Q83016094
• Mol file: 1127-75-9.mol

Synonyms:9-methyl-6-methylsulfanylpurine;1127-75-9;9-METHYL-6-(METHYLTHIO)-9H-PURINE;S,N9-Dimethyl-6-mercaptopurine;9H-Purine, 9-methyl-6-(methylthio)-;9-Methyl-6-(methylthio)purine;NSC38302;9H-PURINE,9-METHYL-6-(METHYLTHIO)-;9-methyl-6-methylthiopurine;SCHEMBL6426384;9-Methyl-6-methylmercaptopurine;DTXSID30150143;NSC 38302;NSC-38302;AKOS015905021;9-methyl-6-(methylsulfanyl)-9H-purine;Methyl 9-methyl-9H-purin-6-yl sulfide #

Chemical Property of 9-Methyl-6-(methylthio)-9H-purine

Chemical Property:

• Vapor Pressure: 2.19E-05mmHg at 25°C
• Boiling Point: 360.7°Cat760mmHg
• Flash Point: 171.9°C
• PSA: 68.90000
• Density: 1.43g/cm³
• LogP: 1.08520
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.04696745
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1N=CN=C2SC

Technology Process of 9-Methyl-6-(methylthio)-9H-purine

There total 16 articles about 9-Methyl-6-(methylthio)-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: 84.0%

methylthiol (74-93-1) + 9-methyl-6-(1,2,4-triazol-4-yl)purine (158782-61-7) → 9-methyl-6-methylthiopurine (1127-75-9)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1021/ja00099a061

Reference yield: 84.0%

9-methyl-6-(1,2,4-triazol-4-yl)purine (158782-61-7) + sodium thiomethoxide (5188-07-8) → 9-methyl-6-methylthiopurine (1127-75-9)

Guidance literature:

In N,N-dimethyl-formamide; for 1.5h;

Reference yield: 81.0%

6-methylthiopurine (50-66-8) + methyl iodide (74-88-4) → 7-methyl-6-(methylthio)-7H-purine (1008-01-1) + 9-methyl-6-methylthiopurine (1127-75-9)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; In water; acetonitrile; at 50 ℃; for 0.5h; Microwave irradiation; Sealed tube;

DOI:10.1002/jhet.4407

upstream raw materials:

6-chloro-9-methyl-9H-purine

methylthiol

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

methyl iodide

Downstream raw materials:

N₆,N₉-dimethyladenine