4-Bromochalcone

Base Information

• Chemical Name: 4-Bromochalcone
• CAS No.: 22966-09-2
• Molecular Formula: C15H11 Br O
• Molecular Weight: 287.156
• European Community (EC) Number: 889-018-5
• NSC Number: 636922
• UNII: 099C4158DP
• DSSTox Substance ID: DTXSID501031041
• Nikkaji Number: J124.901K,J150.786I
• Wikidata: Q27236474
• ChEMBL ID: CHEMBL243164
• Mol file: 22966-09-2.mol

Synonyms:4-Bromochalcone;1774-66-9;22966-09-2;(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one;3-(4-bromophenyl)-1-phenylprop-2-en-1-one;(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one;3-(4-Bromophenyl)-1-phenyl-2-propen-1-one;2-Propen-1-one, 3-(4-bromophenyl)-1-phenyl-;CCRIS 2219;(E)-4-Bromochalcone;(E)-3-(4-Bromophenyl)-1-phenyl-2-propen-1-one;UNII-099C4158DP;NSC636922;099C4158DP;NSC-636922;2-Propen-1-one, 3-(4-bromophenyl)-1-phenyl-, (E)-;(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one;NSC-28482;p-Brombenzylidenacetophenon;SCHEMBL658481;(E)-3-(4-bromophenyl)-1-phenyl-prop-2-en-1-one;CHEMBL243164;DTXSID501031041;MFCD00205553;NSC 28482;STK520783;1-(4-bromophenyl)-3-phenylpropenone;CHALCONE, 4-BROMO-, (E)-;AKOS003620873;3-(4-bromo-phenyl)-1-phenyl-propenone;LS-123839;F79795;AF-753/00291025;(2E)-3-(4-Bromophenyl)-1-phenyl-2-propen-1-one;Q27236474;2-PROPEN-1-ONE, 3-(4-BROMOPHENYL)-1-PHENYL-, (2E)-

Chemical Property of 4-Bromochalcone

Chemical Property:

• Vapor Pressure: 1.49E-06mmHg at 25°C
• Boiling Point: 398.3°Cat760mmHg
• Flash Point: 79.6°C
• Density: 1.393g/cm³
• 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:

98%min ^*data from raw suppliers

(E)-3-(4-Bromophenyl)-1-phenylprop-2-en-1-one 95+% ^*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(=O)C=CC2=CC=C(C=C2)Br
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br

Technology Process of 4-Bromochalcone

There total 38 articles about 4-Bromochalcone 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-bromo-benzaldehyde (1122-91-4) + acetophenone (98-86-2) → (2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃;

DOI:10.1021/acs.orglett.1c00178

Reference yield: 96.0%

Te-phenacyldi(n-butyl)telluronium bromide (111873-49-5) + 4-bromo-benzaldehyde (1122-91-4) → (2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2)

Guidance literature:

In tetrahydrofuran; for 6h; Heating;

DOI:10.1016/S0040-4039(01)80993-X DOI:10.1021/jo00255a039

Reference yield: 93.0%

[3-(4-bromo-phenyl)-oxiranyl]-phenyl-methanone → (2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2)

Guidance literature:

With sodium iodide; tin(ll) chloride; In ethanol; for 0.0833333h; Reflux; Green chemistry;

DOI:10.1055/s-0034-1378821

upstream raw materials:

4-bromo-benzaldehyde

acetophenone

Te-phenacyldi(n-butyl)telluronium bromide

α-bromoacetophenone

Downstream raw materials:

4-(4-Bromo-phenyl)-6-hydroxy-6-phenyl-2-thioxo-piperidine-3-carbonitrile; compound with piperidine

4-[1-(4-Bromo-phenyl)-3-oxo-3-phenyl-propyl]-3,4-dihydro-1H-benzo[b]azepine-2,5-dione

1,3,3-triphenylpropan-1-one

(3-(4-bromophenyl)aziridin-2-yl)(phenyl)methanone