Description

3-Cyano-5-tert-Butyl-Methyl Benzoate is a specialized aromatic ester derivative, valued for its unique molecular structure that combines a cyano group with a sterically hindered tert-butyl moiety. This compound serves as a critical advanced pharmaceutical intermediate and a versatile building block in fine chemical synthesis. It is primarily utilized by R&D chemists and process engineers in the pharmaceutical, agrochemical, and material science industries for developing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and metabolic diseases.
• Agrochemical Synthesis: Building block for developing advanced herbicides and plant growth regulators with enhanced selectivity and stability.
• Liquid Crystal & OLED Materials: Used in the research and production of specialty chemicals for electronic displays and optoelectronic devices.
• Polymer Modification: Serves as a functional monomer or additive to impart specific properties like UV stability or modified solubility to advanced polymers.
• Organic Synthesis Reagent: Employed in academic and industrial laboratories for constructing complex molecular architectures via reactions involving the cyano and ester functional groups.
• Chemical Research (R&D): Fundamental scaffold for exploring new chemical reactions and catalytic processes in medicinal and synthetic chemistry.

Basic Information

Product Name	3-Cyano-5-tert-Butyl-Methyl Benzoate
CAS No.	936801-70-6
Molecular Formula	C14H17NO2
Molecular Weight	231.29 g/mol
Synonyms	Methyl 3-Cyano-5-tert-butylbenzoate; Benzoic acid, 3-cyano-5-(1,1-dimethylethyl)-, methyl ester; 3-Cyano-5-tert-butylbenzoic acid methyl ester; 5-tert-Butyl-3-cyanobenzoic acid methyl ester; Methyl 5-tert-butyl-3-cyanobenzoate; 3-Cyano-5-(tert-butyl)methyl benzoate
EINECS	Contact for details

Quality Control

Our 3-Cyano-5-tert-Butyl-Methyl Benzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing identity, purity, and impurity profiles to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flames. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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