7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol

Base Information

• Chemical Name: 7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol
• CAS No.: 1027375-81-0
• Molecular Formula: C₁₃H₁₂ClN₅O
• Molecular Weight: 289.724
• DSSTox Substance ID: DTXSID801153080
• Mol file: 1027375-81-0.mol

Synonyms:DTXSID801153080;7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol;1027375-81-0

Chemical Property of 7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 289.0730377
• Heavy Atom Count: 20
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)Cl)N=N1)O

Technology Process of 7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol

There total 2 articles about 7-Chloro-alpha-methyl-5-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidine-3-ethanol 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:

5-amino-6-chloro-4-(2-hydroxy-1-propyl)amino-2-phenylpyrimidine (639070-96-5) → 6-chloro-9-(2-hydroxy-1-propyl)-2-phenyl-8-azapurine (1027375-81-0)

Guidance literature:

With acetic acid; sodium nitrite; In tetrahydrofuran; water; at 0 - 20 ℃; for 5h;

DOI:10.1016/S0223-5234(03)00147-8

Reference yield:

5-amino-4,6-dichloro-2-phenylpyrimidine (20959-02-8) → 6-chloro-9-(2-hydroxy-1-propyl)-2-phenyl-8-azapurine (1027375-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / N,N-diethylaniline / ethanol / 12 h / 110 °C

2: NaNO₂; glacial acetic acid / H₂O; tetrahydrofuran / 5 h / 0 - 20 °C

With acetic acid; N,N-diethylaniline; sodium nitrite; In tetrahydrofuran; ethanol; water;

DOI:10.1016/S0223-5234(03)00147-8

Reference yield:

6-chloro-9-(2-hydroxy-1-propyl)-2-phenyl-8-azapurine (1027375-81-0) → 9-(2-hydroxy-1-propyl)-2-phenyl-8-azaadenine

Guidance literature:

With ammonia; In ethanol; at 120 ℃; for 24h;

DOI:10.1016/S0223-5234(03)00147-8

upstream raw materials:

5-amino-6-chloro-4-(2-hydroxy-1-propyl)amino-2-phenylpyrimidine

5-amino-4,6-dichloro-2-phenylpyrimidine