Description

tert-Butyl 3-Cyano-4-Fluorobenzoate is a high-purity fluorinated aromatic building block of significant importance in advanced organic synthesis. Its core value lies in its versatile molecular architecture, which incorporates a protected carboxylic acid group, a nitrile functionality, and a fluorine atom, making it a critical intermediate for constructing complex molecules. This compound is primarily needed by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, particularly in medicinal chemistry for creating drug candidates with improved metabolic stability and bioavailability.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), especially in the development of kinase inhibitors and other small-molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, where the fluorine atom enhances biological activity and environmental persistence.
• Liquid Crystal & OLED Material Precursor: Serves as a starting material for synthesizing fluorinated aromatic compounds used in electronic displays and organic light-emitting diodes.
• Advanced Polymer Monomer: Employed in the development of specialty polymers and high-performance materials with specific thermal and chemical resistance properties.
• Chemical Research & Development: A versatile scaffold in academic and industrial R&D for exploring new chemical reactions and creating compound libraries for screening.
• Fluorine Chemistry Studies: Used as a model substrate in methodological development for introducing and transforming fluorinated aromatic systems.

Basic Information

Product Name	tert-Butyl 3-Cyano-4-Fluorobenzoate
CAS No.	171050-07-0
Molecular Formula	C12H12FNO2
Molecular Weight	221.23 g/mol
Synonyms	4-Fluoro-3-cyanobenzoic Acid tert-Butyl Ester; Benzoic acid, 3-cyano-4-fluoro-, 1,1-dimethylethyl ester; tert-Butyl 4-fluoro-3-cyanobenzoate; 3-Cyano-4-fluorobenzoic Acid tert-Butyl Ester; 1,1-Dimethylethyl 3-cyano-4-fluorobenzoate; TB 3-Cyano-4-Fluorobenzoate; 171050-07-0; tert-Butyl 3-cyano-4-fluorobenzoate
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Cyano-4-Fluorobenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. The compound should be handled in accordance with good laboratory practices to prevent contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥98.0% (Area %)
Water Content (KF)	≤0.5%
Residue on Ignition	≤0.1%
Heavy Metals	≤20 ppm

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