Benzyl 4-bromophenyl ketone

Base Information

• Chemical Name: Benzyl 4-bromophenyl ketone
• CAS No.: 2001-29-8
• Molecular Formula: C14H11 Br O
• Molecular Weight: 275.145
• Hs Code.: 29147000
• European Community (EC) Number: 923-132-9
• DSSTox Substance ID: DTXSID10334126
• Nikkaji Number: J469.937H
• Wikidata: Q72449150
• Mol file: 2001-29-8.mol

Synonyms:Benzyl 4-bromophenyl ketone;2001-29-8;1-(4-Bromophenyl)-2-phenylethanone;4'-Bromo-2-phenylacetophenone;Ethanone, 1-(4-bromophenyl)-2-phenyl-;4-bromodeoxybenzoin;4-Bromodesoxybenzoin;MFCD00016331;Ethanone,1-(4-bromophenyl)-2-phenyl-;benzyl 4-brornophenyl ketone;4--bromodeoxybenzoin;1-(4-bromophenyl)-2-phenylethan-1-one;Maybridge4_003239;2-phenyl-p-bromoacetophenone;SCHEMBL1351697;benzylbromanuidyl(phenyl)methanone;DTXSID10334126;CHEBI:190542;HMS1530D05;Benzyl 4-bromophenyl ketone, 97%;BBL027816;STL011094;AKOS005202967;AB90876;DS-6553;1-(4-Bromo-phenyl)-2-phenyl-ethanone;1-(4-Bromophenyl)-2-phenylethanone #;phenyl-(phenylmethyl)bromanuidylmethanone;NCGC00176058-01;NCGC00176058-02;AC-30019;SY049175;B2020;CS-0156335;FT-0622765;D70861;AB01330624-02;A814165;AH-034/01393018;J-012941;BRD-K64462698-001-01-5;4 inverted exclamation mark -Bromo-2-phenylacetophenone

Chemical Property of Benzyl 4-bromophenyl ketone

Chemical Property:

• Appearance/Colour: White topale yellow crystalline powder
• Vapor Pressure: 4.47E-06mmHg at 25°C
• Melting Point: 112-116 ºC
• Boiling Point: 383.2 °C at 760 mmHg
• Flash Point: 84.6 °C
• PSA: 17.07000
• Density: 1.39 g/cm³
• LogP: 3.87450
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 273.99933
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99.0%Min ^*data from raw suppliers

Benzyl 4-bromophenyl ketone ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzyl 4-bromophenyl ketone

There total 44 articles about Benzyl 4-bromophenyl ketone 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: 94.0%

bromobenzene (108-86-1,52753-63-6) + phenylacetyl chloride (103-80-0) → 1-(4-bromophenyl)-2-phenyl-ethan-1-one (2001-29-8)

Guidance literature:

bromobenzene; phenylacetyl chloride; With aluminum (III) chloride; In dichloromethane; at 20 - 50 ℃; for 14.25h; Cooling with ice; Inert atmosphere;

With hydrogenchloride; In dichloromethane; water;

DOI:10.1021/jm500483b

Reference yield: 90.0%

3-oxo-2-phenyl-3-(4-bromophenyl)propanal (100954-46-9) → 1-(4-bromophenyl)-2-phenyl-ethan-1-one (2001-29-8)

Guidance literature:

With ethylenediamine; In tetrahydrofuran; for 4h; Heating;

DOI:10.1080/00397910601130967

Reference yield: 85.0%

benzyl chloride (100-44-7) + 4-chlorobenzoyl chloride (586-75-4) → 1-(4-bromophenyl)-2-phenyl-ethan-1-one (2001-29-8)

Guidance literature:

benzyl chloride; With manganese; In tetrahydrofuran; at 20 ℃; for 0.333333h;

4-chlorobenzoyl chloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jo9811367

upstream raw materials:

p-bromobenzamide

phenylmagnesium bromide

3-(4-bromo-phenyl)-3-hydroxy-2,4-diphenyl-butyric acid

bromobenzene

Downstream raw materials:

4-(Phenylethinyl)triphenylmethanol

5-(4-bromophenyl)-2,4-diphenyl-1H-imidazole

C₁₄H₁₂BrNO

C₁₉H₂₀BrN₃O

Refernces

• 1、 Luo, Mengqiang,Zhang, Yaohong,Fang, Ping,Li, Yan,Qi, Chenze,Li, Yong,Shen, Runpu,Cheng, Kai,Wang, Hai. "H2O2-mediated room temperature synthesis of 2-arylacetophenones from arylhydrazines and vinyl azides in water". supporting information. p. 630 - 635. Retrieved 2022/02/01.
• 2、 Bouquin, Maxime,Jaroschik, Florian,Taillefer, Marc. "Versatile and base-free copper-catalyzed α-arylations of aromatic ketones using diaryliodonium salts". supporting information. . Retrieved 2021/06/11.