Description

Benzoic Acid, 3-Fluoro-, 1,1-Dimethylethyl Ester is a high-purity, specialty fluorinated benzoate ester, serving as a critical building block in advanced organic synthesis. This compound is valued for its role in introducing the tert-butyl ester and fluorine substituents, which are key for modulating the lipophilicity, metabolic stability, and electronic properties of target molecules. It is primarily sought by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: A key synthon for the development of fluorinated active pharmaceutical ingredients (APIs), particularly in oncology and central nervous system (CNS) drug candidates.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides, where the fluorine atom enhances biological activity and environmental persistence.
• Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated aromatic components in electronic display materials, improving charge transport and stability.
• Polymer Modification: Employed to introduce fluorine and benzoate functional groups into polymer chains, altering surface properties and chemical resistance.
• Organic Synthesis Reagent: Utilized in cross-coupling reactions and as a protected carboxylic acid derivative in multi-step synthetic routes.
• Flavor & Fragrance Intermediate: Acts as a precursor for synthesizing specific fluorinated aromatic compounds used in high-value fragrance formulations.

Basic Information

Product Name	Benzoic Acid, 3-Fluoro-, 1,1-Dimethylethyl Ester
CAS No.	831-34-5
Molecular Formula	C11H13FO2
Molecular Weight	196.22 g/mol
Synonyms	3-Fluorobenzoic Acid tert-Butyl Ester; tert-Butyl 3-Fluorobenzoate; 1,1-Dimethylethyl 3-Fluorobenzoate; 3-Fluoro-benzoic Acid 1,1-Dimethylethyl Ester; Benzoic Acid, 3-Fluoro-, tert-Butyl Ester; 3-Fluorobenzoic Acid, tert-Butyl Ester; tert-Butyl 3-Fluorobenzenecarboxylate; 3-Fluoro-tert-butylbenzoate
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 3-Fluoro-, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and identity. Certificates of Analysis (COA) detailing purity, impurity profiles, and physical characteristics are provided with every shipment to guarantee batch-to-batch consistency and compliance with your research or production specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from incompatible materials such as strong bases and oxidizing agents. The container should be kept tightly sealed in a dry environment to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Refractive Index	Contact for details
Density	Contact for details

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