2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile | CAS No. 854044-51-2

2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile

Basic Information

CAS Number

854044-51-2

Molecular Formula

C10H16BrN3OSi

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

N#CC1=CN(COCC[Si](C)(C)C)C(Br)=N1

InChI

InChI=1S/C10H16BrN3OSi/c1-16(2,3)5-4-15-8-14-7-9(6-12)13-10(14)11/h7H,4-5,8H2,1-3H3

InChIKey

XDLFZSWZSHTGJY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

  • 2-Bromo-1-(2-Trimethylsilylethoxymethyl)Imidazole-4-Carbonitrile

MDL Number

MFCD12964153

FAQ

What are the physical and chemical properties of 2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2)?

2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2) is a crystalline solid with a molecular weight of approximately 417.2 g/mol. It has low solubility in water but is soluble in organic solvents such as dimethylformamide. This compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but may undergo substitution reactions under certain conditions.

How is 2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2) typically synthesized?

2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2) can be synthesized through a multistep process involving the reaction of imidazole with bromoethoxy derivatives in the presence of trimethylsilyl chloride. The synthesis typically requires the use of a catalyst and involves selective bromination followed by silyl ether formation, yielding the final product with high yield.

What industries use 2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2)?

2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2) is primarily used in the pharmaceutical industry for the synthesis of various drugs, owing to its reactivity and functional group versatility. It also finds applications in the polymer industry for modifying polymer properties and in the semiconductor industry for functionalizing materials.

What precautions should be taken when handling 2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2)?

When handling 2-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazole-4-carbonitrile (CAS: 854044-51-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information.

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