8-(methylthio)-9H-purin-6-amine

Base Information

• Chemical Name: 8-(methylthio)-9H-purin-6-amine
• CAS No.: 2508-06-7
• Molecular Formula: C₆H₇N₅S
• Molecular Weight: 181.221
• NSC Number: 25636
• DSSTox Substance ID: DTXSID60359061
• Nikkaji Number: J1.729.839I
• Wikidata: Q82140060
• ChEMBL ID: CHEMBL569241
• Mol file: 2508-06-7.mol

Synonyms:2508-06-7;8-(methylthio)-9H-purin-6-amine;8-methylsulfanyl-7H-purin-6-amine;CHEMBL569241;8-(methylsulfanyl)-9H-purin-6-amine;8-Methylsulfanyl-7~{h}-Purin-6-Amine;8-(methylsulfanyl)-9H-purin-6-ylamine;8-(methylsulfanyl)adenine;Oprea1_877412;MLS000768660;SCHEMBL17060216;DTXSID60359061;HMS2797E09;NSC25636;BDBM50241668;NSC-25636;STK548876;8-Methylsulfanyl-9H-purin-6-ylamine;AKOS005476929;HR-0348;SMR000431979;A924472;CS-007/03899012;8WT

Chemical Property of 8-(methylthio)-9H-purin-6-amine

Chemical Property:

• Vapor Pressure: 6.74E-05mmHg at 25°C
• Boiling Point: 344.1°Cat760mmHg
• Flash Point: 161.9°C
• Density: 1.78g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 181.04221642
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=NC=NC(=C2N1)N

Technology Process of 8-(methylthio)-9H-purin-6-amine

There total 9 articles about 8-(methylthio)-9H-purin-6-amine 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: 86.0%

6-amino-7,9-dihydro-8H-purine-8-thione (7390-62-7) + methyl iodide (74-88-4) → 8-(methylsulfanyl)-9H-purin-6-amine (2508-06-7)

Guidance literature:

With potassium hydroxide; at 15 ℃; for 0.5h;

DOI:10.1135/cccc20001698

Reference yield: 80.0%

8-(methylthio)purine (33426-53-8) → 8-(methylsulfanyl)-9H-purin-6-amine (2508-06-7)

Guidance literature:

With potassium amide; In ammonia; at -33 ℃; for 20h;

Reference yield:

6-chloro-8-methylsulfanyl-7(9)H-purine (100859-87-8) → 8-methylsulfanyl-7(9)H-purin-6-ylamine (2508-06-7)

Guidance literature:

With ammonia; water; at 110 ℃;

DOI:10.1021/ja01557a051

upstream raw materials:

6-chloro-8-methylsulfanyl-7⁽⁹⁾H-purine

6-amino-7,9-dihydro-8H-purine-8-thione

methyl iodide

8-thioxo-8,9-dihydro-1H-purin-6(7H)-one

Downstream raw materials:

(S)-7-[(Trityloxy)methyl]-7,8-dihydro[1,3]oxazolo[3,2-e]purine-4-amine

(S)-3-[2-Hydroxy-3-(trityloxy)propyl]-8-(methylsulfanyl)adenine

(S)-9-[2-Hydroxy-3-(trityloxy)propyl]-8-(methylsulfanyl)adenine