Description

tert-Butyl 2-(3-Cyano-4-fluorophenyl)acetate is a high-purity, multifunctional chemical intermediate of significant importance in modern synthetic chemistry. Its core value lies in its versatile molecular architecture, which incorporates a protected carboxylic acid group, a cyano functionality, and a fluorine atom, making it a critical building block for the synthesis of complex molecules. This compound is primarily needed by research and development teams and production chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and kinase inhibitors.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, where the fluorine atom enhances biological activity and metabolic stability.
• Liquid Crystal & OLED Material Precursor: Serves as a starting material for synthesizing fluorinated organic compounds used in electronic displays and optoelectronic devices.
• Peptidomimetics & Bio-conjugation: The tert-butyl ester group provides a convenient protecting strategy for carboxylic acids in peptide synthesis and the creation of bioconjugates for drug delivery systems.
• Fluorine-Containing Fine Chemicals: Essential intermediate for introducing the 3-cyano-4-fluorophenyl moiety into more complex fine chemicals and specialty polymers.
• Academic & Contract Research: A valuable reagent for medicinal chemistry research, library synthesis, and process development in academic and contract research organizations (CROs).

Basic Information

Product Name	tert-Butyl 2-(3-Cyano-4-fluorophenyl)acetate
CAS No.	951624-06-9
Molecular Formula	C₁₃H₁₄FNO₂
Molecular Weight	235.26 g/mol
Synonyms	2-(3-Cyano-4-fluorophenyl)acetic acid tert-butyl ester; tert-Butyl (3-cyano-4-fluorophenyl)acetate; Acetic acid, 2-(3-cyano-4-fluorophenyl)-, 1,1-dimethylethyl ester; 4-Fluoro-3-cyanobenzeneacetic acid tert-butyl ester; 951624-06-9; t-Butyl 2-(3-cyano-4-fluorophenyl)acetate
EINECS	Contact for details

Quality Control

Our tert-Butyl 2-(3-Cyano-4-fluorophenyl)acetate is manufactured under strict quality management systems. Every 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 a reliable supply 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 controlled room temperature (15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥98.0%
Water Content (KF)	≤0.5%
Residue on Ignition	≤0.1%
Related Substances (HPLC)	Total impurities ≤2.0%; Any single impurity ≤1.0%

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