138335-97-4

Basic information

• Product Name: 1-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethanone
• CAS NO: 138335-97-4
• Molecular Formula: C₇H₉BrN₂OS
• Molecular Weight: 249.1282
• Mol File: 138335-97-4.mol

Chemical Properties

• Boiling Point: 383.4°C at 760 mmHg
• Flash Point: 185.7°C
• Density: 1.61g/cm³
• Vapor Pressure: 4.4E-06mmHg at 25°C
• Refractive Index: 1.632
• CAS DataBase Reference: 1-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethanone(138335-97-4)
• EPA Substance Registry System: 1-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]ethanone(138335-97-4)

Safety Data

• Hazardous Substances Data: 138335-97-4(Hazardous Substances Data)

Usage

Class

Ketones

Derivative

Imidazole

Structure

1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl moiety attached to an ethanone group

Bromine atom

Position 4 on the imidazole ring

Reactive and functional properties

Distinct due to the presence of bromine atom

Applications

Organic synthesis, medicinal chemistry, building block for pharmaceuticals and biologically active compounds

Safety

Handle and use with care due to potentially hazardous nature

Upstream product

• 138407-31-5 tert-butyl-3-oxo-3-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)propanoate 
• 108905-63-1 Methyl 4-bromo-1-methyl-2-methylthio-5-imidazolecarboxylate 

Downstream Products

• 108905-70-0 1-(5-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)propan-1-ol 
• 138335-99-6 3-(6-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)propan-2-ol 
• 138336-10-4 2-[2-(5-Bromo-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl)-allyl]-6-methyl-pyrazine 
• 138336-08-0 2-[2-(5-Bromo-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl)-allyl]-5-methyl-pyrazine 
• 138336-06-8 (Z)-1-(6-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)prop-1-ene 
• 138336-05-7 (E)-1-(6-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)prop-1-ene 
• 138336-02-4 (Z)-1-(5-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)prop-1-ene 
• 138336-01-3 (E)-1-(5-methyl-2-pyrazinyl)-2-(4-bromo-1-methyl-2-(methylthio)-5-imidazolyl)prop-1-ene 

Relevant articles and documents

New Synthetic Route to Imidazopyridines by the Thermal Electrocyclic Reaction of 1-Azahexatriene Systems

New routes to 1H- and 3H-imidazopyridines have been developed by the thermal electrocyclic reaction of 1-azahexatriene systems involving the imidazole 4,5-bond.

Regiospecific Synthesis of the Aminoimidazoquinoxaline (IQx) Mutagens from Cooked Foods

A versatile regiospecific synthesis has been developed to prepare the six dimethyl- and trimethyl-substituted 2-aminoimidazoquinoxaline (IQx) regioisomers 35, 36, 37, 38, 39, and 40 for complete and unambiguous characterization.The key reaction step in the synthetic sequence for these angular tricycles is a photodehydrohalogenative cyclization of suitably substituted pyrazinylimidazolylethylene intermediates derived from common pyrazine and fully functionalized imidazole precursors.The reaction sequence developed allows for versatility in the substitution pattern as well as total regioisomeric control for the synthesis of all possible methyl and polymethyl analogues of IQx.Comparison of the physical properties among the isomeric di- and trimethyl-IQx's has established the value of unambiguous regiospecific synthesis for structural assignments in this food mutagen series.