4-Phenylchalcone oxide

Base Information

• Chemical Name: 4-Phenylchalcone oxide
• CAS No.: 82389-34-2
• Molecular Formula: C₂₁H₁₆O₂
• Molecular Weight: 300.357
• DSSTox Substance ID: DTXSID901002648
• Nikkaji Number: J982.329H
• Pharos Ligand ID: H52X2SDKWSMC
• ChEMBL ID: CHEMBL3661417
• Mol file: 82389-34-2.mol

Synonyms:4-phenylchalcone oxide

Chemical Property of 4-Phenylchalcone oxide

Chemical Property:

• Vapor Pressure: 2.54E-09mmHg at 25°C
• Melting Point: 257-259℃
• Boiling Point: 478.6°Cat760mmHg
• Flash Point: 214.7°C
• PSA: 29.60000
• Density: 1.197g/cm³
• LogP: 4.67640
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 300.115029749
• Heavy Atom Count: 23
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

4-Phenylchalcone Oxide, 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3C(O3)C(=O)C4=CC=CC=C4

Technology Process of 4-Phenylchalcone oxide

There total 2 articles about 4-Phenylchalcone oxide 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: 75.0%

α-bromoacetophenone (70-11-1) + 4-Phenylbenzaldehyde (3218-36-8) → trans-4-phenylchalcone oxide (82389-34-2)

Guidance literature:

With triethylamine; magnesium bromide; In acetonitrile; at 0 ℃; for 1h;

DOI:10.3987/COM-06-10689

Reference yield: 49.0%

3,5-dimethyl-4-nitro-1H-pyrazole (14531-55-6) + (3-([1,1'-biphenyl]-4-yl)oxiran-2-yl)(phenyl)methanone (40327-58-0,82389-34-2) → (2S,3S)-3-([1,1'-biphenyl]-4-yl)-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-hydroxy-1-phenylpropan-1-one + (2R,3S)-(3-([1,1'-biphenyl]-4-yl)oxiran-2-yl)(phenyl)methanone (82389-34-2)

Guidance literature:

With C₄₁H₆₄N₄O₄; scandium tris(trifluoromethanesulfonate); In dichloromethane; at 35 ℃; for 12h; enantioselective reaction; Resolution of racemate; Molecular sieve; Inert atmosphere;

DOI:10.1039/c5cc02179k

upstream raw materials:

3,5-dimethyl-4-nitro-1H-pyrazole

(3-([1,1'-biphenyl]-4-yl)oxiran-2-yl)(phenyl)methanone

α-bromoacetophenone

4-Phenylbenzaldehyde