(4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone

Base Information

• Chemical Name: (4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone
• CAS No.: 26502-72-7
• Molecular Formula: C16H12N2O2
• Molecular Weight: 264.283
• DSSTox Substance ID: DTXSID20540039
• Wikidata: Q82415905
• Mol file: 26502-72-7.mol

Synonyms:26502-72-7;(4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone;DTXSID20540039

Chemical Property of (4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.089877630
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NN(C=C2O)C3=CC=CC=C3

Technology Process of (4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone

There total 3 articles about (4-Hydroxy-1-phenyl-1H-pyrazol-3-yl)(phenyl)methanone 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: 84.0%

Glyoxal (131543-46-9,107-22-2) + n-(1-phenyl)-N'-(2-phenyl-2-oxo-1-ethylidene)hydrazine (15808-13-6) → (4-hydroxy-1-phenyl-1H-pyrazol-3-yl)-phenyl-methanone (26502-72-7)

Guidance literature:

With acetic acid; In water; at 110 ℃; for 1h;

Reference yield:

(phenacylidene-phenyl-hydrazino)-acetic acid (131409-77-3) → (4-hydroxy-1-phenyl-1H-pyrazol-3-yl)-phenyl-methanone (26502-72-7)

Guidance literature:

With methanol; potassium carbonate; Yield given. Multistep reaction; 1.) pyridine, room temperature, heating, 1 hour;

DOI:10.1016/S0040-4039(00)80291-9

Reference yield:

→ (4-hydroxy-1-phenyl-1H-pyrazol-3-yl)-phenyl-methanone (26502-72-7)

Guidance literature:

Bromid (IV, R: C6H5), NaOCOCH3;

DOI:10.1039/j39700000656

upstream raw materials:

Glyoxal

n-(1-phenyl)-N'-(2-phenyl-2-oxo-1-ethylidene)hydrazine

(phenacylidene-phenyl-hydrazino)-acetic acid