(2E)-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one

Base Information

• Chemical Name: (2E)-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
• CAS No.: 41564-65-2
• Molecular Formula: C17H16O2
• Molecular Weight: 252.313
• NSC Number: 141835
• DSSTox Substance ID: DTXSID101192635
• Nikkaji Number: J402.931C,J895.952H
• Pharos Ligand ID: WCZVVX1717ZN
• ChEMBL ID: CHEMBL140711
• Mol file: 41564-65-2.mol

Synonyms:(2E)-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one;6552-71-2;1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one;41564-65-2;CHEMBL140711;(E)-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one;NSC141835;4-Methyl-4'-methoxychalcone;4-Methyl-4/'-methoxychalcone;SCHEMBL9337905;(E)-1-(4-methoxyphenyl)-3-(p-tolyl)prop-2-en-1-one;DTXSID101192635;(E)-4'-Methoxy-4-methylchalcone;BDBM50048547;MFCD00156755;STK888807;AKOS002180941;NSC-141835;NCGC00320688-01;VU0492673-1;AB00101840-01;AB00101840-03;AR-685/41632924;1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-propen-1-one;F3139-1018;(2E)-1-(4-Methoxyphenyl)-3-(4-methylphenyl)-2-propen-1-one

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

Chemical Property:

• Vapor Pressure: 5.3E-07mmHg at 25°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 252.115029749
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 13 articles about (2E)-1-(4-methoxyphenyl)-3-(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: 99.0%

4-Methylbenzyl alcohol (589-18-4) + rac-1-(4-methoxyphenyl)-ethanol (3319-15-1) → 4'-methoxy-4-methylchalcone (30925-55-4,41564-65-2,6552-71-2)

Guidance literature:

With oxygen; lithium hydroxide; In water; tert-butyl alcohol; at 70 ℃;

DOI:10.1021/acscatal.5b01223

Reference yield: 99.0%

4-methyl-benzaldehyde (104-87-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → (E)-1-(4-methoxyphenyl)-3-p-tolylprop-2-en-1-one (41564-65-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 48h;

DOI:10.1016/j.bioorg.2021.104689

Reference yield: 98.0%

4-methyl-benzaldehyde (104-87-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 4'-methoxy-4-methylchalcone (30925-55-4,41564-65-2,6552-71-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 5 - 10 ℃;

DOI:10.1007/s12039-017-1327-x

upstream raw materials:

4-methyl-benzaldehyde

1-(4-Methoxy-phenyl)-2-[2-(4-methoxy-phenyl)-2-oxo-ethanesulfinyl]-ethanone

1-(4-methoxyphenyl)ethanone

4-methoxy-benzoyl chloride

Downstream raw materials:

4-(4-Methoxy-phenyl)-6-p-tolyl-5,6-dihydro-1H-pyrimidine-2-thione

2-methoxy-6-(4-methoxy-phenyl)-4-p-tolyl-nicotinonitrile

(2-hydroxy-2-(4-methoxyphenyl)-4,5-di-p-tolylcyclopentyl)(4-methoxyphenyl)methanone

7-(4-methoxyphenyl)-1,3-dimethyl-5-p-tolylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione