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Description
Ethyl 4,4,4-Trifluorobut-2-ynoate is a fluorinated building block that combines two reactive features in a single small molecule: a carbon–carbon triple bond and a trifluoromethyl group, with an ethyl ester group at the opposite end. The product is supplied by TCI under catalogue code E1495. In modern organic synthesis laboratories, this compound is a highly valued reagent because it allows a trifluoromethyl group to be inserted into a new molecular framework while simultaneously forming a ring, so that two synthetic objectives are achieved in a single reaction step.
The property that makes this reagent a preferred choice is the exceptional degree of electron deficiency at its triple bond. The trifluoromethyl group and the ester group are both electron-withdrawing and flank the alkyne from either side, which turns the triple bond into a highly reactive dipolarophile and dienophile. As a result, cycloaddition reactions can proceed under relatively mild conditions with good regioselectivity, and conjugate addition by nucleophiles also proceeds rapidly. The presence of the trifluoromethyl group in the final product adds further value, since it generally influences the metabolic stability, lipophilicity, and acidity of the target molecule.
In Indonesian laboratories, this building block is typically used in university and institutional research groups working on organic synthesis and medicinal chemistry, where fluorinated fragments are needed to build new heterocyclic scaffolds. It is generally ordered in small research quantities for exploratory route development rather than for routine bulk work, and is handled together with other TCI catalogue reagents in synthesis laboratories that already run standard glassware, inert-atmosphere, and fume hood operations.
Laboratory Applications
- Heterocycle construction via cycloaddition — the electron-poor alkyne acts as a highly reactive dipolarophile, allowing rings to be formed under relatively mild conditions with good regioselectivity.
- Introduction of trifluoromethyl groups into new scaffolds — a single reagent delivers the CF3 unit while the ring-forming step proceeds, achieving two synthetic goals in one reaction stage.
- Conjugate addition chemistry with nucleophiles — the twin electron-withdrawing trifluoromethyl and ester groups activate the triple bond so that nucleophilic addition proceeds rapidly and cleanly.
- Diels–Alder type reactions — flanked by two electron-withdrawing groups, the alkyne behaves as a strongly reactive dienophile suited to building fluorinated six-membered ring systems.
- Medicinal chemistry fragment synthesis — the resulting trifluoromethyl group generally influences metabolic stability, lipophilicity, and acidity, which are key parameters in the design of candidate molecules.
Specifications
- Brand: TCI (catalogue code E1495)
- CAS number: 79424-03-6
- Category: Chemistry > Building Blocks > Fluorinated Building Blocks
- Chemical name: Ethyl 4,4,4-Trifluorobut-2-ynoate
- Pack sizes: research-scale catalogue pack sizes as listed by TCI
- Storage: store according to the conditions stated on the manufacturer's label and safety data sheet
Handling and Storage
Store the container tightly closed in a cool, dry, and well-ventilated place, away from heat sources, direct sunlight, and incompatible materials, following the conditions stated on the manufacturer's label and safety data sheet. Keep the material in its original supplier container or in a compatible tightly sealed vessel, and avoid prolonged exposure to air and moisture once opened. Handle the compound inside a fume hood using appropriate personal protective equipment, including safety goggles, chemical-resistant gloves, and a laboratory coat. Because this is a reactive electron-deficient alkyne, avoid contact with strong nucleophiles, strong bases, and strong oxidising agents, and always consult the safety data sheet before use and before disposal of any residues.
