1-(4-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• CAS No.: 51863-81-1
• Molecular Formula: C16H13 Br O2
• Molecular Weight: 317.182
• European Community (EC) Number: 653-141-0
• DSSTox Substance ID: DTXSID90292533
• Mol file: 51863-81-1.mol

Synonyms:51863-81-1;1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one;NCIOpen2_009070;DTXSID90292533;AKOS030239954;NCI60_020101

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

Chemical Property:

• Vapor Pressure: 2.89E-08mmHg at 25°C
• Boiling Point: 449.3°C at 760 mmHg
• Flash Point: 225.5°C
• PSA: 26.30000
• Density: 1.378g/cm³
• LogP: 4.35380
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 316.00989
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

98% min ^*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=CC(=O)C2=CC=C(C=C2)Br

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

There total 6 articles about 1-(4-Bromophenyl)-3-(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: 96.07%

para-bromoacetophenone (99-90-1) + 4-methoxy-benzaldehyde (123-11-5) → 3-(4-methoxyphenyl)-1-(4-bromophenyl)-2-propen-1-one (51863-81-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 3.5h;

DOI:10.1016/j.molstruc.2017.03.090

Reference yield: 92.0%

bromobenzene (108-86-1,52753-63-6) + p-methoxycinnamoyl chloride (42996-84-9,34446-64-5) → 3-(4-methoxyphenyl)-1-(4-bromophenyl)-2-propen-1-one (51863-81-1)

Guidance literature:

With zinc(II) oxide; at 25 - 30 ℃; for 1h; regioselective reaction;

DOI:10.1016/j.catcom.2012.06.012

Reference yield: 86.0%

4-Methoxystyrene (637-69-4,24936-44-5) + carbon monoxide (201230-82-2) + 4-bromophenyl trifluoromethanesulfonate (66107-30-0) → 3-(4-methoxyphenyl)-1-(4-bromophenyl)-2-propen-1-one (51863-81-1)

Guidance literature:

With palladium diacetate; caesium carbonate; In water; at 35 - 95 ℃; for 13h; under 3750.38 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8cc00324f

upstream raw materials:

para-bromoacetophenone

4-methoxy-benzaldehyde

bromobenzene

p-methoxycinnamoyl chloride

Downstream raw materials:

[(1R,2R)-2-Benzoyl-3-(4-methoxy-phenyl)-cyclopropyl]-(4-bromo-phenyl)-methanone

2-amino-4-(4-methoxyphenyl)-6-(4-bromophenyl)pyrimidine

1-(4-bromophenyl)-3-(4-methoxyphenyl)propan-1-one

3-<4-Brom-benzoyl>-2-<4-methoxy-phenyl>-propionitril