Description

A-(1-Methylpropyl)Benzeneacetonitrile is a specialized organic nitrile compound, serving as a versatile intermediate in fine chemical synthesis. Its value lies in providing a chiral, branched alkyl chain attached to a benzonitrile core, which is crucial for constructing complex molecular architectures. This product is primarily needed by research and development laboratories, as well as production facilities in the pharmaceutical and agrochemical sectors for the synthesis of active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of chiral active pharmaceutical ingredients (APIs), particularly those requiring a sec-butyl aromatic moiety.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and pesticides where its specific structure contributes to biological activity.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized phosphine or amine ligands used in asymmetric catalysis.
• Fine Chemical Production: Intermediate in the manufacture of dyes, flavors, and fragrances requiring specific alkylated aromatic nitriles.
• Material Science Research: Employed in the development of novel polymers and liquid crystals due to its combination of aromaticity and aliphatic branching.
• Academic & Industrial R&D: A valuable reagent for methodological studies in organic synthesis, including cyanoalkylation and cross-coupling reactions.

Basic Information

Product Name	A-(1-Methylpropyl)Benzeneacetonitrile
CAS No.	5558-32-7
Molecular Formula	C12H15N
Molecular Weight	173.25 g/mol
Synonyms	2-Phenylpentanenitrile; α-sec-Butylbenzeneacetonitrile; (RS)-2-Phenylvaleronitrile; (±)-2-Phenylvaleronitrile; Benzeneacetonitrile, α-(1-methylpropyl)-; 2-Phenyl-n-valeronitrile; α-(1-Methylpropyl)benzeneacetonitrile; 5558-32-7
EINECS	226-919-6

Quality Control

Our A-(1-Methylpropyl)Benzeneacetonitrile is produced under a strict quality management system. Every batch undergoes comprehensive analytical testing, including chromatography and spectroscopy, to ensure identity, purity, and consistency. We provide full traceability and Certificates of Analysis (COA) are available for all shipments, detailing the specific results against our rigorous internal specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Refractive Index (n20/D)	1.5080 - 1.5120
Density (g/mL, 20°C)	0.950 - 0.970

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.