Description

3-Heptyn-2-One, 1,1,1-Trifluoro- is a specialized fluorinated alkyne ketone building block of significant interest in advanced organic synthesis. Its unique structure, featuring both a terminal alkyne and a trifluoromethyl ketone group, makes it a versatile precursor for constructing complex molecules with tailored properties. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the introduction of fluorine and alkyne motifs into drug candidates, potentially enhancing metabolic stability and binding affinity.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides where the trifluoromethyl group can improve efficacy and environmental profile.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialty polymers and coatings with unique surface properties.
• Ligand & Catalyst Development: Employed in the preparation of sophisticated ligands for catalysis and molecular recognition applications.
• Fluorine Chemistry Research: A valuable substrate for studying novel fluorination reactions and the behavior of fluorinated functional groups.
• Chemical Biology Probes: Utilized in click chemistry and bio-conjugation strategies to label biomolecules for imaging and diagnostic purposes.

Basic Information

Product Name	3-Heptyn-2-One, 1,1,1-Trifluoro-
CAS No.	105439-84-7
Molecular Formula	C7H7F3O
Molecular Weight	164.13 g/mol
Synonyms	1,1,1-Trifluoro-3-heptyn-2-one; 1,1,1-Trifluorohept-3-yn-2-one; 3-Heptyn-2-one, 1,1,1-trifluoro-; Trifluoroacetylbutylacetylene; CF3COCH2C≡CCH2CH2CH3; 4-Butyl-1,1,1-trifluorobut-3-yn-2-one
EINECS	Contact for details

Quality Control

Our 3-Heptyn-2-One, 1,1,1-Trifluoro- is produced and handled under strict quality management protocols. Each batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support custom synthesis and can tailor purity grades to meet specific research or cGMP starting material requirements.

Storage

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

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)	1.410 - 1.430
Density (g/mL, 20°C)	1.10 - 1.20

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