1-hydroxy-1H-pyrazole

Base Information

• Chemical Name: 1-hydroxy-1H-pyrazole
• CAS No.: 81945-73-5
• Molecular Formula: C3H4N2O
• Molecular Weight: 84.0776
• Hs Code.: 2933199090
• European Community (EC) Number: 279-854-3
• DSSTox Substance ID: DTXSID40966651
• Nikkaji Number: J320.348D
• Wikidata: Q82949068
• Mol file: 81945-73-5.mol

Synonyms:1-hydroxy-1,2-diazole;1H-pyrazol-1-ol;EINECS 257-808-3;hydroxypyrazole;1H-Pyrazole,1-hydroxy;N-hydroxypyrazole;1-hydroxy-1H-pyrazole;

Chemical Property of 1-hydroxy-1H-pyrazole

Chemical Property:

• Melting Point: 74℃
• Boiling Point: 242.3°Cat760mmHg
• PKA: 9.38±0.58(Predicted)
• Flash Point: 100.3°C
• PSA: 38.05000
• Density: 1.3g/cm³
• LogP: 0.12040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.032362755
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

97% ^*data from raw suppliers

1H-Pyrazol-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)O
• Uses: 1H-Pyrazol-1-ol, is an intermediate in the synthesis of various pharmaceutical compounds containing pyrazole. It can be used for the construction of multidentate ligands.

Technology Process of 1-hydroxy-1H-pyrazole

There total 9 articles about 1-hydroxy-1H-pyrazole 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: 93.0%

1-(benzyloxy)pyrazole (100159-47-5) → 1H-pyrazol-1-ol (81945-73-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 0 ℃; for 0.5h; under 760 Torr;

DOI:10.1021/jo00121a017

Reference yield: 73.0%

1-benzyl-1H-pyrazole-2-oxide (145162-47-6) → 1H-pyrazol-1-ol (81945-73-5)

Guidance literature:

With 2,6-dimethylpyridine; trimethylsilyl iodide; In chloroform; at 70 ℃; for 14h;

DOI:10.3891/acta.chem.scand.50-0549

Reference yield: 64.0%

→ 3-(1-methyl-1H-pyrrol-3-yl)-1-(4-nitrophenyl)-1H-pyrazol-5-ol + 1H-pyrazol-1-ol (81945-73-5)

Guidance literature:

upstream raw materials:

4-bromo-3,5-dimethyl-1-hydroxypyrazole 2-oxide

NH-pyrazole

1-(benzyloxy)pyrazole

1-benzyl-1H-pyrazole-2-oxide

Downstream raw materials:

1-(benzyloxy)pyrazole

2-(p-methoxybenzyl)pyrazole 1-oxide

5-bromo-1-(2,6-difluorobenzyl)-1H-pyrazole

4-Phenyl-piperazine-1-carboxylic acid pyrazol-1-yl ester