Description

Benzoyl Fluoride, 4-(1,1-Dimethylethyl)- (9Ci) CAS NO 174579-99-8 is a specialized organofluorine compound featuring a tert-butyl substituted benzoyl fluoride core structure. This compound serves as a valuable fluorinating agent and a key synthetic intermediate in advanced organic synthesis. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the introduction of fluorine atoms or benzoyl groups into complex molecules.

Application

• Pharmaceutical Intermediate: Used in the synthesis of active pharmaceutical ingredients (APIs), particularly for constructing fluorinated aromatic rings which can enhance metabolic stability and bioavailability.
• Agrochemical Synthesis: Serves as a building block for creating novel herbicides, fungicides, and pesticides with improved efficacy and environmental profiles.
• Fluorination Reagent: Acts as a source of the benzoyl fluoride moiety in nucleophilic and electrophilic fluorination reactions under controlled conditions.
• Material Science Research: Employed in the development of specialty polymers, liquid crystals, and advanced organic electronic materials where the tert-butyl and fluorine groups modify physical properties.
• Cross-Coupling Reactions: Utilized as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) to create complex biaryl structures.
• Organic Synthesis Building Block: Provides a protected or activated form of benzoic acid for stepwise synthesis of complex organic molecules in academic and industrial research.

Basic Information

Item	Detail
Product Name	Benzoyl Fluoride, 4-(1,1-Dimethylethyl)- (9Ci)
CAS No.	174579-99-8
Molecular Formula	C11H13FO
Molecular Weight	180.22 g/mol
Synonyms	4-tert-Butylbenzoyl Fluoride; p-tert-Butylbenzoyl Fluoride; 4-(tert-Butyl)benzoyl Fluoride; 4-(1,1-Dimethylethyl)benzoyl Fluoride; 4-tert-Butylbenzoic Acid Fluoride; p-tert-Butylbenzoic Acid Fluoride; 4-(tert-Butyl)benzenecarbonyl Fluoride
EINECS	Contact for details

Quality Control

Our production of Benzoyl Fluoride, 4-(1,1-Dimethylethyl)- adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy. We provide full traceability and detailed Certificates of Analysis (COA) upon request, ensuring the material meets the precise specifications required for your research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (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.