Description

4-tert-Butylbenzoyl Fluoride (CAS No. 174579-99-8) is a high-purity fluorinated organic compound with the molecular formula C₁₁H₁₃FO. This specialized chemical features a benzoyl fluoride core substituted with a tert-butyl group at the para position, offering unique reactivity for advanced synthetic applications. Our product is rigorously synthesized and purified to meet the exacting standards of pharmaceutical, agrochemical, and materials science research. Available in various quantities with detailed certificates of analysis, this compound is ideal for use as a key intermediate in Friedel-Crafts acylation reactions, peptide coupling agents, or as a building block for liquid crystal materials. The tert-butyl group provides steric hindrance that can be exploited for selective reactions in complex molecular architectures.

Properties

• CAS Number: 174579-99-8
• Complexity: 185
• IUPAC Name: 4-tert-butylbenzoyl fluoride
• InChI: InChI=1S/C11H13FO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3
• InChI Key: XPVHEVIAWLGIOT-UHFFFAOYSA-N
• Exact Mass: 180.095043196
• Molecular Formula: C11H13FO
• Molecular Weight: 180.22
• SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)F
• Topological: 17.1
• Monoisotopic Mass: 180.095043196
• Synonyms: 174579-99-8, 4-tert-butylbenzoyl Fluoride, 4-(tert-Butyl)benzoyl fluoride, Benzoyl fluoride, 4-(1,1-dimethylethyl)- (9CI), 4-(1,1-DIMETHYLETHYL)-BENZOYL FLUORIDE, starbld0013472, 4-tert-Butyl-benzoyl fluoride, SCHEMBL23390997, DTXSID60440685, MFCD13173925, 4-(1,1-Dimethylethyl)benzoyl fluoride, HS-3432, DB-286056, G69838, BENZOYL FLUORIDE, 4-(1,1-DIMETHYLETHYL)-

Application

4-tert-Butylbenzoyl Fluoride serves as a versatile intermediate in organic synthesis, particularly for introducing the 4-tert-butylbenzoyl moiety into target molecules. Researchers utilize this compound in the development of liquid crystalline materials due to its rigid aromatic core and polar fluoride group. The compound finds application in pharmaceutical research as a precursor for protease inhibitors and other bioactive molecules. Its reactivity makes it valuable for creating advanced polymers with specific thermal and optical properties.

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