(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one ETFBO CAS 59938-06-6

Description

(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one, commonly known by the abbreviation ETFBO, is a fluorinated organic compound belonging to the class of α,β-unsaturated ketones (enones). The “(E)-” designation specifies the stereochemistry around the carbon-carbon double bond. This molecule is characterized by an ethoxy group (-OCH2CH3) at the 4-position and a highly electronegative trifluoromethyl group (-CF3) at the 1-position, adjacent to the ketone carbonyl. The trifluoromethyl group significantly influences the compound’s electronic properties and reactivity, making ETFBO a valuable synthon for introducing trifluoromethyl moieties into more complex structures. It is typically a colorless to pale yellow liquid or low-melting solid and serves as a versatile building block in organic synthesis, particularly for preparing fluorinated heterocyclic compounds and other specialty chemicals.

Properties

Property	Value
Chemical Name	(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one (ETFBO)
CAS Number	59938-06-6
Molecular Formula	C6H7F3O2
Molecular Weight	168.11 g/mol
Appearance	Colorless to pale yellow liquid or low-melting solid (typical, may vary)
Purity	≥97% (typical for synthetic intermediates)
Melting Point	Data not readily available; may be a liquid at room temperature or a low-melting solid.
Boiling Point	Data not readily available; likely requires vacuum distillation for purification.
Solubility	Soluble in most common organic solvents (e.g., dichloromethane, ethyl acetate, THF, acetone). Sparingly soluble in water.
Stability	Store in a cool, dry, dark place. May be sensitive to strong acids, bases, and oxidizing agents. Handle under an inert atmosphere for prolonged storage.

Usage

(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one (ETFBO) is primarily utilized as a key intermediate and versatile building block in organic synthesis. Its bifunctional nature (enone and trifluoromethyl group) makes it particularly useful for:

• Synthesis of Trifluoromethylated Heterocycles: ETFBO is widely employed as a precursor for constructing a variety of trifluoromethyl-containing heterocyclic compounds, such as pyrazoles, pyrimidines, pyridines, and isoxazoles. These fluorinated heterocycles are often core structures in biologically active molecules.
• Pharmaceutical Research and Development: It serves as a building block in the synthesis of novel pharmaceutical candidates. The incorporation of a trifluoromethyl group can favorably modulate a drug’s metabolic stability, lipophilicity, bioavailability, and binding affinity.
• Agrochemical Synthesis: Used in the development of new agrochemicals, including fungicides, herbicides, and insecticides, where fluorine-containing motifs often lead to enhanced potency and desirable physicochemical properties.
• Reagent in Organic Reactions: ETFBO participates in various organic transformations, including cycloaddition reactions (e.g., Diels-Alder), Michael additions, and condensation reactions, to produce diverse fluorinated organic molecules.

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