2-methyl-7,9-dihydro-3H-purine-6,8-dithione

Base Information

• Chemical Name: 2-methyl-7,9-dihydro-3H-purine-6,8-dithione
• CAS No.: 5453-11-2
• Molecular Formula: C₆H₆N₄S₂
• Molecular Weight: 198.272
• NSC Number: 19062
• DSSTox Substance ID: DTXSID80393240
• Mol file: 5453-11-2.mol

Synonyms:NSC19062;5453-11-2;2-methyl-7,9-dihydro-3H-purine-6,8-dithione;2-methyl-6,8-dithiopurine;DTXSID80393240;NSC-19062

Chemical Property of 2-methyl-7,9-dihydro-3H-purine-6,8-dithione

Chemical Property:

• Vapor Pressure: 0.00189mmHg at 25°C
• Boiling Point: 291.9°Cat760mmHg
• Flash Point: 130.4°C
• Density: 1.84g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.00338856
• Heavy Atom Count: 12
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=S)C2=C(N1)NC(=S)N2

Technology Process of 2-methyl-7,9-dihydro-3H-purine-6,8-dithione

There total 3 articles about 2-methyl-7,9-dihydro-3H-purine-6,8-dithione 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-methyl-7,9-dihydro-1H-purine-6,8-dione (89418-23-5) → 2-methyl-7,9-dihydro-1H-purine-6,8-dithione (5453-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-aniline; POCl₃

2: ethanol

With ethanol; N,N-dimethyl-aniline; trichlorophosphate;

DOI:10.1021/jo01085a009

Reference yield:

6,8-dichloro-2-methyl-7(9)H-purine (6306-01-0) + thiourea (17356-08-0) → 2-methyl-7,9-dihydro-1H-purine-6,8-dithione (5453-11-2)

Guidance literature:

With ethanol;

DOI:10.1021/jo01085a009

Reference yield:

→ 2-Methyl-purindithiol-(6,8) (5453-11-2)

Guidance literature:

Neben geringen Mengen 8-Hydroxy-6-mercapto-2-methyl-purin aus 6.8-Dihydroxy-2-methyl-purin(I) mit Phosphor-(V)-sulfid in sd.Pyridin;

DOI:10.1039/jr9620000860

upstream raw materials:

6,8-dichloro-2-methyl-7⁽⁹⁾H-purine

thiourea

2-methyl-7,9-dihydro-1H-purine-6,8-dione