4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol

Base Information

• Chemical Name: 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol
• CAS No.: 38214-71-0
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.3
• European Community (EC) Number: 687-388-0
• Nikkaji Number: J2.684.854G
• Wikidata: Q27089162
• ChEMBL ID: CHEMBL1941089
• Mol file: 38214-71-0.mol

Synonyms:VRT 532;VRT-532;VRT532

Chemical Property of 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol

Chemical Property:

• Vapor Pressure: 1.45E-09mmHg at 25°C
• Boiling Point: 472.9oC at 760 mmHg
• Flash Point: 239.8oC
• PSA: 48.91000
• Density: 1.213g/cm3
• LogP: 3.75770
• Storage Temp.: ?20°C
• Solubility.: DMSO: >20mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

VRT-532 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C2=CC(=NN2)C3=CC=CC=C3

Technology Process of 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol

There total 9 articles about 4-Methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol 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: 97.0%

1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione (29976-82-7) → VRT-532 (38214-71-0)

Guidance literature:

With hydrazine; In ethanol; for 1h; Reflux;

DOI:10.1021/jm501344n

Reference yield:

1-(2-hydroxy-5-methylphenyl)-3-phenylpropynone (104213-89-0) → VRT-532 (38214-71-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.5h; Ambient temperature;

Reference yield:

3-bromo-6-methylflavanone (14221-84-2) → VRT-532 (38214-71-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating; or r.t., 15 days;

upstream raw materials:

3-bromo-6-methylflavanone

1-(2-hydroxy-5-methylphenyl)-3-phenylpropynone

4-methyl-2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-phenol

2'-hydroxy-5'-methylchalcone

Downstream raw materials:

C₁₆H₁₁⁽²⁾H₃N₂O

C₁₆H₁₃⁽²⁾HN₂O

C₁₇H₁₆N₂O

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