Description

Benzonitrile, 4-[(3-Methyl-2-Butenyl)Oxy]- (9Ci) CAS NO 445003-94-1 is a specialized organic compound featuring a benzonitrile core substituted with a prenyloxy (3-methyl-2-butenyloxy) group at the para position. This unique molecular architecture makes it a valuable advanced intermediate for the synthesis of complex molecules in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working on novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of potential drug candidates, particularly those requiring a functionalized aromatic nitrile moiety.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides where the prenyl ether and nitrile functionalities can impart specific biological activity.
• Ligand and Catalyst Synthesis: Acts as a precursor for creating specialized ligands used in metal-catalyzed coupling reactions and other synthetic transformations.
• Material Science Research: Employed in the development of organic electronic materials, liquid crystals, or polymers where its molecular structure can influence material properties.
• Flavor & Fragrance Synthon: Can be utilized as a starting material for synthesizing complex aroma chemicals due to its benzenoid and ether components.
• Academic & Industrial R&D: A versatile reagent for methodological studies and exploring new chemical spaces in organic synthesis laboratories.

Basic Information

Product Name	Benzonitrile, 4-[(3-Methyl-2-Butenyl)Oxy]- (9Ci)
CAS No.	445003-94-1
Molecular Formula	C12H13NO
Molecular Weight	187.24 g/mol
Synonyms	4-(3-Methylbut-2-en-1-yloxy)benzonitrile; 4-(3-Methyl-2-buten-1-yloxy)benzonitrile; 4-Prenyloxybenzonitrile; 4-[(3-Methyl-2-butenyl)oxy]benzonitrile; Benzonitrile, 4-[(3-methyl-2-butenyl)oxy]-; 4-(Isopentenyloxy)benzonitrile; 1-Cyano-4-(3-methylbut-2-en-1-yloxy)benzene
EINECS	Contact for details

Quality Control

Our Benzonitrile, 4-[(3-Methyl-2-Butenyl)Oxy]- is produced under strict quality management protocols. Every batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the exacting standards required for research and development applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance processes.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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