2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-

Base Information

• Chemical Name: 2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-
• CAS No.: 153901-75-8
• Molecular Formula: C₁₂H₁₉N₅O₂S
• Molecular Weight: 297.381
• DSSTox Substance ID: DTXSID90165495
• Nikkaji Number: J563.258G
• Wikidata: Q83034714
• Mol file: 153901-75-8.mol

Synonyms:2-(2,2-Diethoxyethyl)-6-(methylthio)-2H-pyrazolo(3,4-d)pyrimidin-4-amine;2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-;4-Amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo(3,4-d)pyrimidine;153901-75-8;2-(2,2-Diethoxyethyl)-6-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;DTXSID90165495;LS-129190

Chemical Property of 2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-

Chemical Property:

• Vapor Pressure: 4.26E-11mmHg at 25°C
• Boiling Point: 524.6°Cat760mmHg
• Flash Point: 271°C
• Density: 1.38g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 297.12594604
• Heavy Atom Count: 20
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CN1C=C2C(=NC(=NC2=N1)SC)N)OCC

Technology Process of 2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(methylthio)-

There total 3 articles about 2H-Pyrazolo(3,4-d)pyrimidin-4-amine, 2-(2,2-diethoxyethyl)-6-(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: 90.0%

4,6-bis(methylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine (153901-67-8) → 4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine (153901-75-8)

Guidance literature:

With ammonia; at 120 - 130 ℃; for 24h;

DOI:10.1016/0223-5234(93)90089-W

Reference yield:

4,6-Bis-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine (6288-89-7) → 4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine (153901-75-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / K₂CO₃ / dimethylformamide / 16 h / 90 °C

2: 90 percent / methanolic ammonia / 24 h / 120 - 130 °C

With ammonia; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(93)90089-W

Reference yield:

chloroacetaldehyde diethyl acetal (621-62-5) → 4-amino-2-(2',2'-diethoxyethyl)-6-methylthio-2H-pyrazolo<3,4-d>pyrimidine (153901-75-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / K₂CO₃ / dimethylformamide / 16 h / 90 °C

2: 90 percent / methanolic ammonia / 24 h / 120 - 130 °C

With ammonia; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(93)90089-W

upstream raw materials:

4,6-bis(methylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine

4,6-Bis-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

chloroacetaldehyde diethyl acetal