(2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one

Base Information

• Chemical Name: (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one
• CAS No.: 2403-27-2
• Molecular Formula: C15H11 Br O
• Molecular Weight: 287.156
• Hs Code.: 2914700090
• European Community (EC) Number: 636-621-4
• NSC Number: 28483
• DSSTox Substance ID: DTXSID101030922
• Nikkaji Number: J124.898G,J150.788E
• Wikidata: Q76304836
• ChEMBL ID: CHEMBL464697
• Mol file: 2403-27-2.mol

Synonyms:Chalcone,4'-bromo- (6CI,7CI,8CI); 1-(4-Bromophenyl)-3-phenyl-2-propen-1-one;4-Bromophenyl styryl ketone; 4'-Bromochalcone; NSC 28483

Chemical Property of (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 402.2°Cat760mmHg
• Flash Point: 82.4°C
• PSA: 17.07000
• Density: 1.393g/cm³
• LogP: 4.34520
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 285.99933
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

(2E)-1-(4-Bromophenyl)-3-phenylprop-2-en-1-one 97% ^*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)Br
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Br

Technology Process of (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one

There total 52 articles about (2E)-1-(4-bromophenyl)-3-phenylprop-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: 98.0%

para-bromoacetophenone (99-90-1) + benzaldehyde (100-52-7) → 1-(4-bromophenyl)-3-phenyl-2-propen-1-one (2403-27-2)

Guidance literature:

With sulfonated carbon; In benzene; Heating;

Reference yield: 95.0%

para-bromoacetophenone (99-90-1) + benzaldehyde (100-52-7) → (E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one (72758-69-1,2403-27-2,22966-23-0)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.06.066

Reference yield: 95.0%

benzaldehyde (100-52-7) + para-bromophenacyl bromide (99-73-0,132309-76-3) → (E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one (72758-69-1,2403-27-2,22966-23-0)

Guidance literature:

With polyethyleneimine supported triphenylphosphine; In chloroform; at 65 ℃; Inert atmosphere;

DOI:10.1055/s-0034-1380810

upstream raw materials:

para-bromoacetophenone

benzaldehyde

carbon disulfide

aluminium trichloride

Downstream raw materials:

2,3-dibromo-1-(4-bromo-phenyl)-3-phenyl-propan-1-one

3-(4-bromophenyl)-5-phenyl-4,5-dihydro-isoxazole

[3-(4-bromo-phenyl)-3-oxo-1-phenyl-propyl]-malonic acid dimethyl ester

diethyl 2-(3-(4-bromophenyl)-3-oxo-1-phenylpropyl)malonate