7-Methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol

Base Information

• Chemical Name: 7-Methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol
• CAS No.: 91902-03-3
• Molecular Formula: C₁₃H₁₁N₃O
• Molecular Weight: 225.25
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10352244
• Wikidata: Q82129278
• Mol file: 91902-03-3.mol

Synonyms:7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol;91902-03-3;7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one;Oprea1_503658;DTXSID10352244;MFCD07355752;AKOS001386317;AKOS002544485;CS-0234917;EN300-14979;Z118257496

Chemical Property of 7-Methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 50.42000
• Density: 1.3g/cm³
• LogP: 2.41030
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.090211983
• Heavy Atom Count: 17
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC(=O)NN12)C3=CC=CC=C3

Technology Process of 7-Methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol

There total 4 articles about 7-Methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-ol 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: 40.0%

5-amino-1,2-dihydropyrazol-3-one (28491-52-3) + 1-phenylbutan-1,3-dione (93-91-4) → 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (91902-03-3) + 4-methyl-3-oxo-6-phenyl-2,3-dihydropyrazolo<3,4-b>pyridine (97839-87-7) + 5-methyl-2-oxo-7-phenyl-1,2-dihydropyrazolo<1,5-a>pyrimidine (23876-73-5)

Guidance literature:

With acetic acid; for 2h; Heating;

Reference yield:

cyano-acetic acid-(1-methyl-3-oxo-3-phenyl-propylidenehydrazide) (91768-35-3,1086229-94-8) → 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (91902-03-3)

Guidance literature:

With sodium hydroxide;

Reference yield:

1-phenylbutan-1,3-dione (93-91-4) → 7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (91902-03-3)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. NaOH solution

With sodium hydroxide;

upstream raw materials:

cyano-acetic acid-(1-methyl-3-oxo-3-phenyl-propylidenehydrazide)

5-amino-1,2-dihydropyrazol-3-one

1-phenylbutan-1,3-dione

Downstream raw materials:

4-methyl-3-oxo-6-phenyl-2,3-dihydropyrazolo<3,4-b>pyridine

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