3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 52601-63-5
• Molecular Formula: C16H12 Cl2 O2
• Molecular Weight: 307.176
• NSC Number: 125334
• Nikkaji Number: J1.668.884C
• ChEMBL ID: CHEMBL137846
• Mol file: 52601-63-5.mol

Synonyms:3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one;(2E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one;927202-27-5;NSC125334;CHEMBL137846;SCHEMBL1225611;4'-Methoxy-2,4-dichlorochalcone;MFCD00220702;STK888805;AKOS001114812;6N-316S;NSC-125334;Z46053781;52601-63-5

Chemical Property of 3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.42E-08mmHg at 25°C
• Boiling Point: 458.1°Cat760mmHg
• Flash Point: 182.9°C
• Density: 1.292g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 306.0214350
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl

Technology Process of 3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

There total 5 articles about 3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)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: 88.3%

2,4-dichlorobenzaldeyhde (874-42-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → (E)-3-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (52601-63-5,927202-27-5)

Guidance literature:

With sodium hydroxide; at 5 - 8 ℃;

DOI:10.1021/jm200946h

Reference yield: 88.0%

2,4-dichlorobenzaldeyhde (874-42-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (52601-63-5,927202-27-5)

Guidance literature:

With sodium hydroxide; In methanol; water; at 55 ℃; Microwave irradiation;

DOI:10.1007/s00044-011-9602-8

Reference yield: 86.0%

1-(4-methoxylphenyl)-2-propen-1-ol (51410-44-7) + 2,4-dichlorophenylboronic acid (68716-47-2) → 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (52601-63-5,927202-27-5)

Guidance literature:

1-(4-methoxylphenyl)-2-propen-1-ol; With oxygen; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 4h; under 760.051 Torr; Green chemistry;

2,4-dichlorophenylboronic acid; With 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 90 ℃; for 18h; chemoselective reaction; Green chemistry;

DOI:10.1039/c4ra07478e

upstream raw materials:

2,4-dichlorobenzaldeyhde

1-(4-methoxyphenyl)ethanone

anethole

1-(4-methoxylphenyl)-2-propen-1-ol

Downstream raw materials:

C₂₇H₂₉Cl₂NO₄S₂