Purine, 6-dimethylamino-2-methylthio-

Base Information

• Chemical Name: Purine, 6-dimethylamino-2-methylthio-
• CAS No.: 1681-11-4
• Molecular Formula: C8H11 N5 S
• Molecular Weight: 209.275
• NSC Number: 21555
• Mol file: 1681-11-4.mol

Synonyms:1681-11-4;N,N-Dimethyl-2-(methylthio)-9H-purin-6-amine;Purine, 6-dimethylamino-2-methylthio-;NSC21555;NSC-21555;2-methylmercapto-6-dimethyl-aminopurine

Chemical Property of Purine, 6-dimethylamino-2-methylthio-

Chemical Property:

• Vapor Pressure: 0.000422mmHg at 25°C
• Boiling Point: 316°Cat760mmHg
• Flash Point: 144.9°C
• Density: 1.43g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 209.07351655
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC(=NC2=C1NC=N2)SC

Technology Process of Purine, 6-dimethylamino-2-methylthio-

There total 6 articles about Purine, 6-dimethylamino-2-methylthio- 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:

N-(4-amino-6-dimethylamino-2-methylsulfanyl-pyrimidin-5-yl)-formamide (99768-59-9) → dimethyl-(2-methylsulfanyl-7(9)H-purin-6-yl)-amine (1681-11-4)

Guidance literature:

at 250 ℃;

DOI:10.1021/jo01369a024 DOI:10.1021/ja01524a037

Reference yield:

N4,N4-dimethyl-2-methylsulfanyl-5-nitroso-pyrimidine-4,6-diyldiamine (98335-73-0) → dimethyl-(2-methylsulfanyl-7(9)H-purin-6-yl)-amine (1681-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc-powder

2: aq.-ethanolic NaOH

With sodium hydroxide; zinc;

DOI:10.1021/jo01369a024

Reference yield:

N4,N4-dimethyl-2-methylsulfanyl-pyrimidine-4,5,6-triyltriamine (154-20-1) + orthoformic acid triethyl ester (122-51-0) → dimethyl-(2-methylsulfanyl-7(9)H-purin-6-yl)-amine (1681-11-4)

Guidance literature:

With acetic anhydride; Erwaermen des Reaktionsprodukts mit wss.NaOH;

DOI:10.1021/jo01111a616

upstream raw materials:

N⁴,N⁴-dimethyl-2-methylsulfanyl-pyrimidine-4,5,6-triyltriamine

orthoformic acid triethyl ester

2-methylthio-6-chloropurine

dimethyl amine

Downstream raw materials:

3'-amino-3'-deoxy-N⁶,N⁶-dimethyladenosine