Description

4-tert-Butylbenzoylacetonitrile is a versatile and high-purity organic intermediate characterized by its unique molecular structure combining a benzoylacetonitrile core with a tert-butyl substituent. This compound is valued for its role as a critical building block in the synthesis of complex molecules, offering chemists a reactive handle for constructing heterocycles and functionalized aromatic systems. It is primarily sought after by research institutions and industrial R&D departments in the pharmaceutical, agrochemical, and advanced materials sectors for developing new active ingredients and specialty chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and development of new herbicides and fungicides, leveraging its structure for bioactivity.
• Ligand and Catalyst Development: Acts as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Organic Electronic Materials: Investigated as a building block for charge-transport materials and organic semiconductors in OLED and photovoltaic research.
• Chemical Research & Development: Employed in academic and industrial labs for methodological studies in organic synthesis, including cyclization and cross-coupling reactions.
• Fine Chemical Production: Utilized in the custom synthesis of specialty dyes, pigments, and performance chemicals requiring specific aromatic substitution patterns.

Basic Information

Item	Details
Product Name	4-tert-Butylbenzoylacetonitrile
CAS No.	475270-04-3
Molecular Formula	C13H15NO
Molecular Weight	201.27 g/mol
Synonyms	1-(4-tert-Butylphenyl)-3-oxopropanenitrile; 4-(tert-Butyl)benzoylacetonitrile; 3-Oxo-3-(4-tert-butylphenyl)propanenitrile; p-tert-Butylbenzoylacetonitrile; 4-tert-Butyl-ω-cyanacetophenone; 3-(4-tert-Butylphenyl)-3-oxopropanenitrile; 1-(4-tert-Butylbenzoyl)acetonitrile
EINECS	Contact for details

Quality Control

Our 4-tert-Butylbenzoylacetonitrile is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including chromatographic purity assessment and identity confirmation. A Certificate of Analysis (COA) detailing specific results for purity, residual solvents, and related substances is provided with every shipment to support your quality assurance protocols.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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