CAS 5558-29-2

3-Methyl-2-phenylbutyronitrile

Description:

3-Methyl-2-phenylbutyronitrile, with the CAS number 5558-29-2, is an organic compound characterized by its nitrile functional group, which is indicative of its reactivity and potential applications in organic synthesis. This compound features a branched alkyl chain with a methyl group and a phenyl group, contributing to its unique structural properties. Typically, nitriles exhibit polar characteristics due to the presence of the cyano group, which can influence their solubility in various solvents. 3-Methyl-2-phenylbutyronitrile may be utilized in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds, owing to its ability to undergo various chemical reactions, such as nucleophilic additions. The compound's physical properties, such as boiling point and melting point, can vary based on its molecular structure and purity. Safety data should be consulted for handling and storage, as nitriles can pose health risks if not managed properly. Overall, 3-Methyl-2-phenylbutyronitrile is a valuable compound in the field of organic chemistry.

Formula: C₁₁H₁₃N

InChI: InChI=1/C11H13N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3/t11-/m1/s1

SMILES: CC(C)[C@@H](C#N)c1ccccc1

Synonyms:

• a-(iso-Propyl)phenylacetonitrile
• 3-Methyl-2-Phenylbutanenitrile
• (2S)-3-methyl-2-phenylbutanenitrile
• (2R)-3-methyl-2-phenylbutanenitrile

3-Methyl-2-phenylbutanenitrile

CAS: 5558-29-2

3-Methyl-2-phenylbutanenitrile

Formula: C₁₁H₁₃N

Purity: ≥95%

Color and Shape: clear liquid

Molecular weight: 159.23g/mol

Ref: 54-OR28298

3-Methyl-2-phenylbutanenitrile

CAS: 5558-29-2

Formula: C₁₁H₁₃N

Purity: 95.0%

Color and Shape: Liquid

Molecular weight: 159.232

Ref: 10-F219217

3-Methyl-2-phenylbutanenitrile

Controlled Product

CAS: 5558-29-2

Applications 3-Methyl-2-phenylbutanenitrile is used as a reagent in the synthesis of disubstituted aminopiperidines as calcium channel blockers which are active on pain and neuropathic pain. 3-Methyl-2-phenylbutanenitrile is also used as a reagent in the synthesis of (methylethyl)(oxopropyl)benzeneacetonitrile and noremopamil enantiomers.
References Teodori, E., et al.: J. Med, Chem., 47, 6070 (2004); Gilmore, J., et al.: J. Chem. Soc., Perkin Trans. 1., no vol., 2845 (1996)

Formula: C₁₁H₁₃N

Color and Shape: Neat

Molecular weight: 159.23

Ref: TR-M327175

3-Methyl-2-phenylbutanenitrile

CAS: 5558-29-2

3-Methyl-2-phenylbutanenitrile is a synthetic, nucleophilic blocker that binds to the active site of the enzyme and inhibits its function. 3-Methyl-2-phenylbutanenitrile is able to bind to calcium antagonist sites on the enzyme and inhibit their function. This product has been shown to be efficient in multigram amounts. The synthesis of this product has been optimized by using a cavitation reaction rate efficient method that is not limited by the solubility of reactants or products. Crystallography revealed that this product contains an amine group, which can act as a nucleophile in reactions with alkylthio groups, such as those found in proteins. 3-Methyl-2-phenylbutanenitrile is immobilized through dioxolane chemistry, which prevents it from interacting with other chemical species.

Formula: C₁₁H₁₃N

Purity: Min. 95%

Molecular weight: 159.23 g/mol

Ref: 3D-FAA55829

3-Methyl-2-phenylbutanenitrile

CAS: 5558-29-2

Formula: C₁₁H₁₃N

Color and Shape: Liquid

Molecular weight: 159.2276

Ref: IN-DA003HHK