373-09-1

Usage

Uses

Used in Pharmaceutical Industry:
4-Fluorobutyl acetate is used as an intermediate in the synthesis of various pharmaceutical compounds for its ability to contribute to the development of new drugs with specific therapeutic properties.
Used in Fragrance Industry:
In the fragrance industry, 4-Fluorobutyl acetate is used as a component in creating complex scent profiles, capitalizing on its fruity odor to enhance or modify the overall fragrance of perfumes, colognes, and other scented products.
Used in Flavoring Industry:
4-Fluorobutyl acetate is employed as a flavoring agent to impart or modify flavors in food and beverage products, taking advantage of its fruity note to create a more appealing taste experience for consumers.

InChI:InChI=1/C6H11FO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

Upstream product

• 6962-92-1 4-Chlorobutyl acetate 
• 4753-59-7 4-Bromobutyl acetate 
• 35435-68-8 4-acetoxy-1-butanol 

Downstream Products

• 372-93-0 1-fluoro-4-hydroxybutane 

Relevant academic research and scientific papers

A novel fluorinated erythromycin antibiotic

A novel fluorinated erythromycin (16-fluoroerythromycin A) has been produced by Saccharopolyspora erythraea ERMD1, using precursor-directed biosynthesis. The Royal Society of Chemistry 2005.

Structure, conformations, and internal hydrogen bonding in gaseous 4-fluorobutan-1-ol. Gas-phase electron diffraction and Ab initio study

Excluding enantiomers, there are 14 possible rotomeric conformations of 4-fluorobutan-1-ol, of which two are capable of forming an internal O-H...F hydrogen bond. The composition of the gaseous system is of special interest because it is determined by the energies of the conformers which reflect the energies of the hydrogen bonds. We have investigated the conformational composition of the gaseous system and the molecular structures of the conformers at 83 °C by gas-phase electron diffraction (GED) augmented by molecular orbital calculations. Because of the complexity of the 4-fluorobutan-1-ol system, the parameters of the several models tested were simplified by various constraints taken from the theoretical work. With these constraints, the best agreement with the GED data was obtained with a model consisting of about equal amounts of hydrogen-bonded and non-hydrogen-bonded conformers. Because the curled-up shape of the two forms capable, in principle, of forming internal hydrogen bonds is expected to be energetically unfavorable in the absence of such bonding, the experimental results are interpreted as strong evidence for its existence. Weighted average values, with estimated 2σ uncertainties, of the more important bond distances (ra/A) and bond angles (∠a/deg) for the preferred model are r(Co-C) = 1.529(2), r(CC-CC) = 1.537(2), r(C-CF) = 1.520(2), r(C-O) = 1.430(5), r(C-F) = 1.401(5), ∠(Co-C-C) = 112.5(33), ∠(C-C-O)H bond = 112.3(55), ∠(C-C-O)no H bond = 108.2(45), and ∠(C-C-CF) = 109.8(12). The two hydrogen-bonded conformers comprise 48.5% of the mixture with an estimated 2σ uncertainty of 14.0%. A rough estimate of the energy of the O-H...F hydrogen bond is 3 kcal mol-1. The average O...F separation in this bond for the H-bonded conformers is 2.46(4) A, about 0.3 A less than the sum of the van der Waals radii.

REACTIONS OF HALOGEN FLUORIDES. XI. MECHANISM OF REACTIONS OF ALKYL HALIDES WITH BROMINE TRIFLUORIDE

The effects of the substituted halogen, the neighboring groups, and the polarity of the medium on the nature of the fluorination products were studied for the reactions of δ-substituted halogenobutanes and 1,2,3-trihalogenobutanes with bromine tetrachloride.A mechanism involving formation of linear halogenonium ions at the rate-determining stage is proposed.