3-(2-Hydroxy-5-methylphenyl)pyrazole

Base Information

• Chemical Name: 3-(2-Hydroxy-5-methylphenyl)pyrazole
• CAS No.: 57148-86-4
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.2
• Hs Code.: 2933199090
• European Community (EC) Number: 672-570-4
• DSSTox Substance ID: DTXSID40425657
• Nikkaji Number: J2.703.802F
• Wikidata: Q82238570
• Mol file: 57148-86-4.mol

Synonyms:3-(2-Hydroxy-5-methylphenyl)pyrazole;57148-86-4;4-methyl-2-(1h-pyrazol-3-yl)phenol;4-methyl-2-(1H-pyrazol-5-yl)phenol;4-methyl-2-(1h-pyrazol-3-yl)benzenol;SCHEMBL13523179;DTXSID40425657;MFCD03424535;(6E)-6-(1,2-dihydropyrazol-3-ylidene)-4-methylcyclohexa-2,4-dien-1-one;AKOS000276196;AKOS022909109;BA-0843;2-(1H-Pyrazole-3-yl)-4-methylphenol;5-(2'-hydroxy-5'-methylphenyl) pyrazole;CS-0207351;A818613;AK-820/25006656;6-(1,2-dihydropyrazol-3-ylidene)-4-methyl-1-cyclohexa-2,4-dienone;6-(1,2-dihydropyrazol-3-ylidene)-4-methyl-cyclohexa-2,4-dien-1-one;1-Hydroxy-1-methyl-3-phenylurea

Chemical Property of 3-(2-Hydroxy-5-methylphenyl)pyrazole

Chemical Property:

• Melting Point: 105-107°C
• Boiling Point: 373.4 °C at 760 mmHg
• Flash Point: 179.6 °C
• PSA: 48.91000
• Density: 1.235 g/cm³
• LogP: 2.09070
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Hydroxy-5-methylphenyl)pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C2=CC=NN2

Technology Process of 3-(2-Hydroxy-5-methylphenyl)pyrazole

There total 2 articles about 3-(2-Hydroxy-5-methylphenyl)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: 95.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-(2-hydroxy-5-methylphenyl)pyrazole (57148-86-4)

Guidance literature:

5-methyl-2-hydroxyacetophenone; N,N-dimethyl-formamide dimethyl acetal; at 75 ℃; for 3h; Inert atmosphere; Schlenk technique;

With hydrazine hydrate; In ethanol; for 3h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.polymer.2020.122553

Reference yield:

→ 3-(2-hydroxy-5-methylphenyl)pyrazole (57148-86-4)

Guidance literature:

5-Methyl-1,2-benzisoxazol-3-acetamid, LiAlH4;

Reference yield: 73.0%

3-(2-hydroxy-5-methylphenyl)pyrazole (57148-86-4) + methyl iodide (74-88-4) → 3-(2'-hydroxy-5'-methylphenyl)-1-methylpyrazole

Guidance literature:

3-(2-hydroxy-5-methylphenyl)pyrazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.polymer.2020.122553

upstream raw materials:

5-methyl-2-hydroxyacetophenone

N,N-dimethyl-formamide dimethyl acetal

Refernces

• 1、 Pigini,Giannella,Gualtieri,et al.. "Analogues with a 1,2 benzisoxazole nucleus of biologically active indole derivatives. III. Tryptamine and Gramine isosters". . p. 29 - 32. Retrieved 2007/10/04.