4-Bromo-1-methyl-2-phenyl-1H-imidazole

Basic Information

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CAS Number

86119-59-7

Molecular Formula

C10H9BrN2

Molecular Weight

237.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CN1C=C(Br)N=C1C2=CC=CC=C2

InChI

InChI=1S/C10H9BrN2/c1-13-7-9(11)12-10(13)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

RZZMXPHOJWEDNW-UHFFFAOYSA-N

LogP

2.8496000000000006

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

4-Bromo-1-methyl-2-phenyl-1H-imidazole
AC1Q3ZQ0
ETHANONE, 2-(1-METHYL-2-PYRROLIDINYL)-1-PHENYL-
(+/-)-1-methyl-2-benzoylmethyl-pyrrolidine
N-methyl-2-phenyl-4-bromoimidazole
AC1L1EXU
LS-67540
N-methyl-2-phenacylpyrrolidine
BRN 0137306
2-(1-Methyl-2-pyrrolidinyl)-1-phenylethanone
2-Phenacyl-N-methylpyrrolidin
2-(1-Methyl-pyrrolidin-2-yl)-1-phenyl-aethanon
2-(1-methyl-pyrrolidin-2-yl)-1-phenyl-ethanone

MDL Number

MFCD13811097

FAQ

What are the physical and chemical properties of 4-Bromo-1-methyl-2-phenyl-1H-imidazole (CAS: 86119-59-7)?

4-Bromo-1-methyl-2-phenyl-1H-imidazole is a colorless to white crystalline solid. Its molecular weight is approximately 249.18 g/mol. This compound is poorly soluble in water but soluble in organic solvents such as ethanol and acetonitrile. It is relatively stable under normal conditions but can undergo bromination reactions under certain conditions.

How is 4-Bromo-1-methyl-2-phenyl-1H-imidazole (CAS: 86119-59-7) typically synthesized?

4-Bromo-1-methyl-2-phenyl-1H-imidazole is typically synthesized via a multistep process involving bromination of 1-methyl-2-phenyl-1H-imidazole. Commonly, N-bromosuccinimide (NBS) is used as a brominating agent, and the reaction is performed in anhydrous dichloromethane (DMC) with a temperature range of 0-5°C. The yield is generally around 70-80%.

What industries use 4-Bromo-1-methyl-2-phenyl-1H-imidazole (CAS: 86119-59-7)?

4-Bromo-1-methyl-2-phenyl-1H-imidazole is utilized in the pharmaceutical industry for the synthesis of certain intermediates and drug candidates. It is also used in the production of sensors and as a precursor in the semiconductor industry. Additionally, it finds applications in the polymer industry for the synthesis of novel materials.

What precautions should be taken when handling 4-Bromo-1-methyl-2-phenyl-1H-imidazole (CAS: 86119-59-7)?

When handling 4-Bromo-1-methyl-2-phenyl-1H-imidazole, it is crucial to use proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and proper disposal methods. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.