3-Methyl-1-phenyl-1H-pyrazol-5-ol

Base Information

• Chemical Name: 3-Methyl-1-phenyl-1H-pyrazol-5-ol
• CAS No.: 19735-89-8
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2933199090
• European Community (EC) Number: 213-390-4,243-261-8
• DSSTox Substance ID: DTXSID9061334,DTXSID6091550
• Nikkaji Number: J2.853.555D,J298.544F,J225.260K
• Wikidata: Q72494780
• Metabolomics Workbench ID: 38837
• ChEMBL ID: CHEMBL4303694
• Mol file: 19735-89-8.mol

Synonyms:N-demethylantipyrine;N-demethylantipyrine, 14C-labeled

Chemical Property of 3-Methyl-1-phenyl-1H-pyrazol-5-ol

Chemical Property:

• Vapor Pressure: 0.0048mmHg at 25°C
• Melting Point: 128°C
• Refractive Index: 1.586
• Boiling Point: 276.448 °C at 760 mmHg
• PKA: 0.10±0.40(Predicted)
• Flash Point: 120.991 °C
• PSA: 37.79000
• Density: 1.179 g/cm³
• LogP: 1.47400
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1)C2=CC=CC=C2

Technology Process of 3-Methyl-1-phenyl-1H-pyrazol-5-ol

There total 49 articles about 3-Methyl-1-phenyl-1H-pyrazol-5-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: 95.0%

ethyl acetoacetate (141-97-9) + phenylhydrazine (100-63-0) → 3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8)

Guidance literature:

In neat (no solvent); at 140 ℃; for 0.00833333h; regioselective reaction; Irradiation; Green chemistry;

DOI:10.1016/j.molcata.2013.02.010

Reference yield: 71.0%

phenylhydrazine (100-63-0) → 3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8)

Guidance literature:

at 180 ℃; for 3h;

Reference yield:

methylene chloride (74-87-3) + 1-benzyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (55774-20-4) → 3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8) + antipyrine (60-80-0) + 4-benzyl-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one (54462-78-1)

Guidance literature:

at 150 - 180 ℃;

upstream raw materials:

4-methyleneoxetan-2-one

3-phenylhydrazono-butyric acid-(N'-phenyl-hydrazide)

phenylhydrazine

5-methoxy-3-methyl-1-phenyl-1H-pyrazole

Downstream raw materials:

5-methoxy-3-methyl-1-phenyl-1H-pyrazole

antipyrine

(3-methyl-1-phenyl-1H-pyrazol-5-yl) benzoate

5-methyl-2-phenyl-4-pyrrol-2-ylmethylene-2,4-dihydro-pyrazol-3-one