Description

2-Methylbut-3-Yn-2-Yl 2,2,2-Trifluoroacetate is a specialized organic ester compound featuring both a trifluoroacetyl group and an alkyne functionality. This unique molecular structure makes it a valuable highly volatile building block and reagent in advanced synthetic chemistry. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and novel crop protection agents.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of complex drug molecules, particularly those requiring the introduction of trifluoromethyl groups or alkyne handles for click chemistry.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoroacetate moiety can enhance biological activity and stability.
• Organic Synthesis Reagent: Serves as a versatile reagent for acyl transfer reactions and as a protected form of a terminal alkyne in multi-step synthetic sequences.
• Material Science Research: Employed in the development of specialty polymers and advanced materials where fluorinated building blocks are required to modify surface properties or stability.
• Chemical Biology & Proteomics: Potential use in bioconjugation and labeling strategies due to its reactive alkyne group, which can participate in Huisgen cycloaddition (click chemistry) reactions.

Basic Information

Product Name	2-Methylbut-3-Yn-2-Yl 2,2,2-Trifluoroacetate
CAS No.	61570-79-4
Molecular Formula	C7H7F3O2
Molecular Weight	180.13 g/mol
Synonyms	3-Methyl-1-butyn-3-yl trifluoroacetate; 2-Methyl-3-butyn-2-yl trifluoroacetate; 3-Methylbut-1-yn-3-yl 2,2,2-trifluoroacetate; 1,1,1-Trifluoro-2-methylbut-3-yn-2-yl acetate; 2,2,2-Trifluoroacetic Acid 3-Methyl-1-butyn-3-yl Ester; 2-Methyl-3-butyn-2-ol trifluoroacetate; 3-Methyl-1-butyn-3-yl ester of trifluoroacetic acid
EINECS	Contact for details

Quality Control

Our 2-Methylbut-3-Yn-2-Yl 2,2,2-Trifluoroacetate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including chromatography (GC/HPLC) and spectroscopic methods (NMR, IR), to ensure high purity and consistent performance. Certificates of Analysis (COA) detailing identity, assay, and impurity profiles are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials such as strong bases. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Refractive Index (n20D)	1.380 - 1.390
Density (20°C)	1.20 - 1.30 g/mL

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