CAS 5558-87-2

α-2-Propen-1-ylbenzeneacetonitrile

Description:

α-2-Propen-1-ylbenzeneacetonitrile, also known as phenylacrylonitrile, is an organic compound characterized by its structure, which features a vinyl group (α-2-propen-1-yl) attached to a benzene ring and a nitrile functional group (acetonitrile). This compound typically appears as a colorless to pale yellow liquid with a distinct aromatic odor. It is known for its reactivity, particularly in polymerization processes, where it can participate in various chemical reactions due to the presence of both the vinyl and nitrile groups. The compound is moderately soluble in organic solvents and has limited solubility in water. Its applications include use as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and polymers. Safety considerations are important, as it may pose health risks if inhaled or ingested, and appropriate handling measures should be taken to minimize exposure. Overall, α-2-Propen-1-ylbenzeneacetonitrile is a versatile compound with significant industrial relevance.

Formula: C₁₁H₁₁N

InChI: InChI=1S/C11H11N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6H2

InChI key: InChIKey=UPGWWAVLPCHBAC-UHFFFAOYSA-N

SMILES: C(CC=C)(C#N)C1=CC=CC=C1

Synonyms:

• Benzeneacetonitrile, α-2-propen-1-yl-
• α-2-Propen-1-ylbenzeneacetonitrile
• 4-Pentenenitrile, 2-phenyl-
• α-2-Propenylbenzeneacetonitrile
• Benzeneacetonitrile, α-2-propenyl-

2-Phenyl-4-pentenenitrile

Controlled Product

CAS: 5558-87-2

Applications 2-Phenyl-4-pentenenitrile is an intermediate used in the synthesis of α-Phenyloxiranepropanenitrile (P335835), which is used in the preparation of CC-1065 and its analogs.
References Bryson, T.A., et al.: Synlett, 9, 723 (1992)

Formula: C₁₁H₁₁N

Color and Shape: Neat

Molecular weight: 157.212

Ref: TR-P336410