Description

3-Methyl-3-[3-(Trifluoromethyl)Phenyl]Butanoic Acid CAS NO 1369063-42-2 is a high-value, fluorinated aromatic carboxylic acid derivative, serving as a critical advanced intermediate in modern synthetic chemistry. Its core value lies in the unique combination of a sterically hindered tertiary butanoic acid moiety and a trifluoromethylphenyl group, which imparts desirable properties like enhanced lipophilicity and metabolic stability to target molecules. This compound is essential for researchers and manufacturers in the pharmaceutical and agrochemical industries, where it is used to develop novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of compounds targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and environmental persistence.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands and organocatalysts used in asymmetric synthesis and cross-coupling reactions.
• Material Science Research: Employed in the development of novel polymers, liquid crystals, and organic electronic materials due to its aromatic and fluorinated structure.
• Custom Synthesis and Contract Manufacturing: A vital starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	3-Methyl-3-[3-(Trifluoromethyl)Phenyl]Butanoic Acid
CAS No.	1369063-42-2
Molecular Formula	C₁₂H₁₃F₃O₂
Molecular Weight	246.23 g/mol
Synonyms	3-Methyl-3-[3-(trifluoromethyl)phenyl]butanoic acid; 3-Methyl-3-(3-trifluoromethylphenyl)butyric acid; α,α-Dimethyl-3-(trifluoromethyl)benzenepropanoic acid; 3-(3-(Trifluoromethyl)phenyl)-3-methylbutanoic acid; 3-Methyl-3-(m-trifluoromethylphenyl)butyric acid; Butanoic acid, 3-methyl-3-[3-(trifluoromethyl)phenyl]-; m-Trifluoromethyl-α,α-dimethylphenylacetic acid (related structure)
EINECS	Contact for details

Quality Control

Our 3-Methyl-3-[3-(Trifluoromethyl)Phenyl]Butanoic Acid is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP standards where applicable, ensuring reliability for your most critical R&D and production processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. For long-term storage, consider using an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 2.0%

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