3-(4-Chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
• CAS No.: 13565-39-4
• Molecular Formula: C₁₆H₁₃ClO
• Molecular Weight: 256.732
• European Community (EC) Number: 652-129-2
• DSSTox Substance ID: DTXSID001196141
• Nikkaji Number: J1.032.294D,J2.399.223J
• ChEMBL ID: CHEMBL2041234
• Mol file: 13565-39-4.mol

Synonyms:37620-37-4;(2E)-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one;13565-39-4;3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-3-(4-chlorophenyl)-1-(p-tolyl)prop-2-en-1-one;trans-4-Chloro-4'-methylchalcone;3-(4-Chlorophenyl)-1-(p-tolyl)prop-2-en-1-one;SCHEMBL979344;3-(4-chlorophenyl)-1-(4-methylphenyl)-2-propen-1-one;CHEMBL2041234;(E)-4-Chloro-4'-methylchalcone;WSEZVGWJTWBTQK-IZZDOVSWSA-N;(E)-3-(4-chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one;DTXSID001196141;(E)-4-Chloro-4/'-methylchalcone;MFCD00016346;STK877820;AKOS002232766;PS-11063;LS-123850;AO-476/40409062;Propenone, 3-(4-chlorophenyl)-1-(4-methylphenyl)-;2-Propen-1-one, 3-(4-chlorophenyl)-1-(4-methylphenyl)-;(2E)-3-(4-Chlorophenyl)-1-(4-methylphenyl)-2-propen-1-one;(2E)-3-(4-Chlorophenyl)-1-(4-methylphenyl)-2-propen-1-one #

Chemical Property of 3-(4-Chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 256.0654927
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one

There total 28 articles about 3-(4-Chlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one 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: 96.0%

4-chlorobenzaldehyde (104-88-1) + para-methylacetophenone (122-00-9) → (E)-4-chloro-4'-methylchalcone (37620-37-4,13565-39-4)

Guidance literature:

With lithium-grafted zagrousian natural asphalt sulfonate; In ethanol; at 20 ℃; for 0.833333h; Reagent/catalyst;

DOI:10.1007/s13738-021-02270-4

Reference yield: 94.0%

4-chlorobenzaldehyde (104-88-1) + para-methylacetophenone (122-00-9) → 3-(4-chlorophenyl)-1-p-tolylprop-2-en-1-one (13565-39-4,37620-37-4)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate; In neat (no solvent); at 120 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2020.152175

Reference yield: 90.0%

cinnamoyl chloride (35086-79-4,95602-71-4) + tri(p-tolyl)bismuth (5142-75-6) → (E)-4-chloro-4'-methylchalcone (37620-37-4,13565-39-4)

Guidance literature:

With triethylamine; triphenylphosphine; palladium dichloride; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1016/j.jorganchem.2008.05.012

upstream raw materials:

4-chlorobenzaldehyde

para-methylacetophenone

2,3-Dibromo-3-(4-chloro-phenyl)-1-p-tolyl-propan-1-one

4-methyl-benzoyl chloride

Downstream raw materials:

3-(4-chloro-phenyl)-4-(3-methyl-4-nitro-isoxazol-5-yl)-1-p-tolyl-butan-1-one

4-(4'-Chlorophenyl)-6-(4''-methylphenyl)-2-aminopyrimidine

5-(4-Chloro-phenyl)-3-p-tolyl-4,5-dihydro-isoxazole

5-(4-chloro-phenyl)-3-p-tolyl-isoxazole