Description

1,1,1-Trifluoro-3,3-Dimethyl-Butan-2-One is a specialized fluorinated ketone building block valued for its unique trifluoromethyl group and sterically hindered structure. This compound matters as a key intermediate in the synthesis of advanced pharmaceuticals, agrochemicals, and functional materials, where its fluorine atoms impart desirable properties like metabolic stability and lipophilicity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecules.

Application

• Pharmaceutical Intermediate: A critical building block for synthesizing active pharmaceutical ingredients (APIs), particularly those requiring fluorinated motifs to enhance bioavailability and metabolic stability.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and pesticides where the trifluoromethyl group improves efficacy and environmental profile.
• Ligand and Catalyst Development: Serves as a precursor for creating novel fluorinated ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the development of fluorinated polymers, coatings, and liquid crystals with enhanced chemical resistance and optical properties.
• Organic Synthesis Reagent: Acts as a versatile reagent for introducing the -COCF3 moiety into target molecules through various condensation and addition reactions.

Basic Information

Product Name	1,1,1-Trifluoro-3,3-Dimethyl-Butan-2-One
CAS No.	359-61-5
Molecular Formula	C7H11F3O
Molecular Weight	168.16 g/mol
Synonyms	1,1,1-Trifluoro-3,3-dimethylbutan-2-one; 3,3-Dimethyl-1,1,1-trifluorobutan-2-one; Pinacolone trifluoromethyl ketone; 1,1,1-Trifluoro-3,3-dimethyl-2-butanone; 2-Butanone, 1,1,1-trifluoro-3,3-dimethyl-; Trifluoro-tert-butyl methyl ketone; TFBMK; 3,3-Dimethyl-2-trifluoroacetylbutane
EINECS	206-627-1

Quality Control

Our 1,1,1-Trifluoro-3,3-Dimethyl-Butan-2-One is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) are provided with every shipment, detailing purity, identity, and impurity profiles. We support compliance with cGMP and ICH guidelines for pharmaceutical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at a controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use and stored away from heat sources and open flame.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Refractive Index (n20/D)	1.375 - 1.385
Density (20°C)	1.10 - 1.20 g/mL

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