3-(4-Bromophenyl)-1-phenylpropan-1-one

Base Information

• Chemical Name: 3-(4-Bromophenyl)-1-phenylpropan-1-one
• CAS No.: 52168-41-9
• Molecular Formula: C15H13BrO
• Molecular Weight: 289.172
• DSSTox Substance ID: DTXSID90558848
• Nikkaji Number: J3.085.807G
• Wikidata: Q82441298
• Mol file: 52168-41-9.mol

Synonyms:3-(4-bromophenyl)-1-phenylpropan-1-one;52168-41-9;3-(4-Bromophenyl)propiophenone;MFCD03843349;SCHEMBL658810;DTXSID90558848;MHNUDVYKHUVNCC-UHFFFAOYSA-N;AKOS009390797;3-(4-bromophenyl)-1-phenyl-propan-1-one;3-(4-Bromo-phenyl)-1-phenyl-propan-1-one

Chemical Property of 3-(4-Bromophenyl)-1-phenylpropan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 4.26460
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 288.01498
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Bromophenyl)propiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)Br

Technology Process of 3-(4-Bromophenyl)-1-phenylpropan-1-one

There total 33 articles about 3-(4-Bromophenyl)-1-phenylpropan-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: 96.0%

styrene oxide (96-09-3) + 4-bromobenzenemethanol (873-75-6) → 3‐(4‐bromophenyl)‐1‐phenylpropan‐1‐one (52168-41-9)

Guidance literature:

With [IrCl(cis,cis-1,5-cyclooctadiene)(1,3-bis(2,4,6-trimethyl-phenyl)imidazol-2-ylidene)]; caesium carbonate; In tert-Amyl alcohol; at 140 ℃; for 16h;

DOI:10.1021/acs.orglett.1c01765

Reference yield: 95.0%

4-bromobenzenemethanol (873-75-6) + acetophenone (98-86-2) → 3‐(4‐bromophenyl)‐1‐phenylpropan‐1‐one (52168-41-9)

Guidance literature:

With C₂₃H₄₁MnNO₂P₂; potassium tert-butylate; In toluene; at 125 ℃; for 18h; Schlenk technique;

DOI:10.1021/acscatal.8b03720

Reference yield: 95.0%

3-(4-bromophenyl)-1-phenylprop-2-en-1-one (1774-66-9) → 3‐(4‐bromophenyl)‐1‐phenylpropan‐1‐one (52168-41-9)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; silica gel; In toluene; at 70 ℃; for 17h; Inert atmosphere; Darkness;

DOI:10.1021/jm9001499

upstream raw materials:

3-(4-bromophenyl)propionic acid

2-Benzenesulfonyl-3-(4-bromo-phenyl)-1-phenyl-propan-1-one

α-(p-bromobenzylidene)-β-keto sulfone

α-(p-bromobenzyl)-β-keto sulfone

Downstream raw materials:

2-amino-5-(4-bromobenzyl)-4-phenylthiophene-3-carboxylic acid ethyl ester

ethyl 5-(4-bromophenyl)-3-phenylpent-2-enoate

ethyl 5-(4-bromophenyl)-3-phenylpent-2-enoate

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