2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl-

Base Information

• Chemical Name: 2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl-
• CAS No.: 39833-48-2
• Molecular Formula: C15H9BrO
• Molecular Weight: 285.14
• DSSTox Substance ID: DTXSID90459563
• Nikkaji Number: J614.171D
• Wikidata: Q82283360
• Mol file: 39833-48-2.mol

Synonyms:39833-48-2;2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl-;3-(4-BROMOPHENYL)-1-PHENYLPROP-2-YN-1-ONE;DTXSID90459563;beta-(4-Bromophenyl)propiolophenone

Chemical Property of 2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 283.98368
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

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

Technology Process of 2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl-

There total 28 articles about 2-Propyn-1-one, 3-(4-bromophenyl)-1-phenyl- 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: 97.0%

4-bromo-1-ethynylbenzene (766-96-1) + benzoyl chloride (98-88-4) → 3-(4-bromophenyl)-1-phenylprop-2-yn-1-one (39833-48-2)

Guidance literature:

With copper(l) iodide; C₂₃H₃₀ClN₄Pd⁽¹⁺⁾; triethylamine; triphenylphosphine; In benzene; at 60 ℃; for 1h;

DOI:10.1016/j.tetlet.2013.02.086

Reference yield: 93.0%

4-bromo-1-ethynylbenzene (766-96-1) + iodobenzene (591-50-4) + carbon monoxide (201230-82-2) → 3-(4-bromophenyl)-1-phenylprop-2-yn-1-one (39833-48-2)

Guidance literature:

With 1 wt% PdCl₂(CH₃CN)₂/Zr₆O₄(OH)₄(2,2′-bipyridine-5,5′-dicarboxylate)₆; caesium carbonate; In N,N-dimethyl-formamide; at 99.84 ℃; for 3h; under 760.051 Torr; chemoselective reaction; Schlenk technique; Sealed tube;

DOI:10.1039/c4cy00488d

Reference yield: 87.0%

carbon monoxide (201230-82-2) + 1,4-bromoiodobenzene (589-87-7) + phenylacetylene (536-74-3) → 3-(4-bromophenyl)-1-phenylprop-2-yn-1-one (39833-48-2)

Guidance literature:

With diethylamine; [(PPh3)2Pd2(Ph)2(μ-OH)2]; at 90 ℃; for 2h; under 11400 Torr;

DOI:10.1055/s-1994-25660

upstream raw materials:

carbon monoxide

1,4-bromoiodobenzene

phenylacetylene

1-copper(I) (4-bromophenyl)ethyne

Downstream raw materials:

(E)-3-(4-Bromo-phenyl)-1-phenyl-3-p-tolylsulfanyl-propenone

(Z)-3-(4-Bromo-phenyl)-1-phenyl-3-p-tolylsulfanyl-propenone

phenyl 2,2-difluoro-3-(4-bromophenyl)cyclopropenyl ketone

1-bromo-4-phenylethynylbenzene

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