6310-44-7

Basic information

• Product Name: 3,4-DIBROMO-4-PHENYL-2-BUTANONE
• Synonyms: 3,4-DIBROMO-4-PHENYL-2-BUTANONE;3,4-DIBROMO-4-PHENYL-BUTAN-2-ONE
• CAS NO: 6310-44-7
• Molecular Formula: C₁₀H₁₀Br₂O
• Molecular Weight: 305.99
• Mol File: 6310-44-7.mol
• Article Data: 35

Chemical Properties

• Boiling Point: 304.1°C at 760 mmHg
• Flash Point: 85°C
• Appearance: /
• Density: 1.701g/cm³
• Vapor Pressure: 0.000893mmHg at 25°C
• Refractive Index: 1.587
• CAS DataBase Reference: 3,4-DIBROMO-4-PHENYL-2-BUTANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIBROMO-4-PHENYL-2-BUTANONE(6310-44-7)
• EPA Substance Registry System: 3,4-DIBROMO-4-PHENYL-2-BUTANONE(6310-44-7)

Safety Data

• Hazardous Substances Data: 6310-44-7(Hazardous Substances Data)

Usage

Description

3,4-DIBROMO-4-PHENYL-2-BUTANONE is a chemical compound with the molecular formula C10H10Br2O. It is a brominated derivative of 4-phenyl-2-butanone, which is a ketone compound. The presence of two bromine atoms on the carbon chain makes 3,4-DIBROMO-4-PHENYL-2-BUTANONE a potentially hazardous and toxic substance.

Uses

Used in Organic Synthesis:
3,4-DIBROMO-4-PHENYL-2-BUTANONE is used as a reagent in various chemical reactions for organic synthesis. Its unique structure and properties make it a valuable component in the creation of new compounds and materials.
Used in Research Laboratories:
3,4-DIBROMO-4-PHENYL-2-BUTANONE is utilized in research laboratories for conducting experiments and studying chemical reactions. Its reactivity and properties allow researchers to explore new pathways and mechanisms in chemical processes.
Used in Pharmaceutical Industry:
3,4-DIBROMO-4-PHENYL-2-BUTANONE may have applications in the pharmaceutical industry as a starting material or intermediate in the synthesis of pharmaceutical compounds. Its unique structure could contribute to the development of new drugs and therapies.
Used in Agrochemical Industry:
3,4-DIBROMO-4-PHENYL-2-BUTANONE may also find use in the agrochemical industry, where it could be employed as a precursor or intermediate in the synthesis of agrochemical products such as pesticides and herbicides.
Safety Precautions:
Due to its potentially harmful effects, proper safety precautions and handling protocols should be followed when working with 3,4-DIBROMO-4-PHENYL-2-BUTANONE. This includes the use of appropriate personal protective equipment, working in well-ventilated areas, and adhering to established safety guidelines.

InChI:InChI=1/C10H10Br2O/c1-7(13)9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10H,1H3

Upstream product

• 122-57-6 1-Phenylbut-1-en-3-one 
• 1896-62-4 (E)-benzalacetone 
• 937-53-1 (Z)-4-phenylbut-3-en-2-one 

Downstream Products

• 854469-42-4 4-phenyl-3,4-dipiperidino-butan-2-one 
• 55337-45-6 4-ethoxy-4-phenyl-but-3-en-2-one 
• 122-57-6 1-Phenylbut-1-en-3-one 
• 26175-40-6 4-phenethyl-thiazol-2-ylamine 
• 71127-25-8 (Z)-4-Imidazol-1-yl-4-phenyl-but-3-en-2-one 
• 32147-21-0 (3E)-3-bromo-4-phenyl-3-buten-2-one 
• 10541-24-9 α-bromobenzalacetone 
• 1896-62-4 (E)-benzalacetone 
• 31207-17-7 3-bromo-4-phenyl-but-3-en-2-one 
• 24963-16-4 1-(1-cyclohexyl-3-phenyl-aziridin-2-yl)-ethanone 
• 22965-96-4 (Z)-3-bromo-4-phenyl-3-buten-2-one 
• 50515-42-9 4-methoxy-4-phenyl-3-buten-2-one 
• 2344-70-9 1-phenyl-3-butanol 
• 32644-22-7 1-methyl-3-phenylallene 

Relevant articles and documents

Dibrominated addition and substitution of alkenes catalyzed by Mn2(CO)10

A practical method for the dibromination of alkenes without using molecular bromine is consistently appealing in organic synthesis. Herein, we report Mn-catalyzed dibrominated addition and substitution of alkenes only with N-bromosuccinimide, producing a variety of synthetically valuable dibrominated compounds in moderate to high yields. This journal is

Hexamethonium bis(tribromide) (HMBTB) a recyclable and high bromine containing reagent

A recyclable and high bromine containing di-(tribromide) reagent, hexamethonium bis(tribromide) (HMBTB) has been synthesized and utilized for the bromination of various organic substrates. The spent reagent hexamethonium bromide (HMB) can be effectively recycled by regenerating and reusing it without significant loss of activity. The crystalline and stable bis(tribromide) is an effective storehouse of very high percentage of active bromine requiring just half an equivalent of it for complete bromination. Both the Br3- moieties in HMBTB are nearly linear with Br-Br-Br angle of 179.55°.

Experimental and Theoretical Study of an Intramolecular CF3-Group Shift in the Reactions of α-Bromoenones with 1,2-Diamines

The reactions of trifluoromethylated 2-bromoenones and N,N′-dialkyl-1,2-diamines have been studied. Depending on the structures of the starting compounds, the formation of 2-trifluoroacetylpiperazine or 3-trifluoromethylpiperazine-2-ones was observed. The mechanism of the reaction is discussed in terms of multistep processes involving sequential substitution of bromine in the starting α-bromoenones and intramolecular cyclization of the captodative aminoenones as key intermediates to form the target heterocycles. The results of theoretical calculations are in perfect agreement with the experimental data. The unique role of the trifluoromethyl group in this reaction is demonstrated.