4'-Phenylchalcone

Base Information

• Chemical Name: 4'-Phenylchalcone
• CAS No.: 2453-44-3
• Molecular Formula: C21H16 O
• Molecular Weight: 284.357
• Hs Code.: 2914399090
• NSC Number: 55817
• DSSTox Substance ID: DTXSID201030975
• Nikkaji Number: J1.267.447C,J3.057.561J
• ChEMBL ID: CHEMBL2237020
• Mol file: 2453-44-3.mol

Synonyms:4'-Phenylchalcone;2453-44-3;1-[1,1'-biphenyl]-4-yl-3-phenylprop-2-en-1-one;CCRIS 2239;(E)-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one;NSC 55817;2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-3-phenyl-;4'-Phenyl-trans-chalcone;SCHEMBL979407;CHEMBL2237020;SCHEMBL14045042;DTXSID201030975;NSC55817;MFCD00115214;NSC-55817;AKOS000266909;LS-188268;A817710;(e)-1-(biphenyl-4-yl)-3-phenylprop-2-en-1-one;(E)-3-phenyl-1-(4-phenylphenyl)-2-propen-1-one;(2E)-1-[1,1'-biphenyl]-4-yl-3-phenyl-2-propen-1-one;1-[1,1-BIPHENYL]-4-YL-3-PHENYLPROP-2-EN-1-ONE

Chemical Property of 4'-Phenylchalcone

Chemical Property:

• Vapor Pressure: 7.17E-09mmHg at 25°C
• Boiling Point: 466.3°Cat760mmHg
• Flash Point: 205.5°C
• PSA: 17.07000
• Density: 1.114g/cm³
• LogP: 5.24970
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 284.120115130
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

1-([1,1'-biphenyl]-4-yl)-3-phenylprop-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of 4'-Phenylchalcone

There total 8 articles about 4'-Phenylchalcone 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: 90.0%

biphenyl-4-acetaldehyde (92-91-1) + benzaldehyde (100-52-7) → 3-Phenyl-2-propen-1-one (2453-44-3)

Guidance literature:

With sodium hydroxide; In ethanol; at 25 ℃;

DOI:10.1002/ardp.200390010

Reference yield: 90.0%

→ 3-Phenyl-2-propen-1-one (2453-44-3)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 0 - 20 ℃; for 3h;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 3-Phenyl-2-propen-1-one (2453-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / nitromethane / 2 h / Heating

2: NaOH / ethanol / 1 h / Heating

With sodium hydroxide; aluminium trichloride; In nitromethane; ethanol; 1: Friedel-Krafts reaction;

DOI:10.1016/j.ejmech.2005.01.005

upstream raw materials:

biphenyl-4-acetaldehyde

benzaldehyde

biphenyl

styrene

Downstream raw materials:

1-biphenyl-4-yl-4-nitro-3,4-diphenyl-butan-1-one

3-(biphenyl-4-yl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole

(+/-)-biphenyl-4-yl-(trans-2-phenyl-cyclopropyl)-ketone