4-tert-Butylcyclohexanone

• CAT Number: R070226
• CAS Number: 98-53-3
• Molecular Formula: C10H18O
• Molecular Weight: 154.25
• Purity: ≥95%
• Synonyms: 4-tert-Butylcyclohexanone
• Storage: RT
• IUPAC Name: 4-tert-butylcyclohexan-1-one
• InChI: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
• InChIKey: YKFKEYKJGVSEIX-UHFFFAOYSA-N
• SMILES: CC(C)(C)C1CCC(=O)CC1

4-tert-Butylcyclohexanone（Cat No.:R070226）is a ketone derivative of cyclohexane with a bulky tert-butyl group at the 4-position. This compound is widely used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fragrances. Its rigid cyclohexanone core adopts a chair conformation, and the tert-butyl group strongly favors the equatorial position, influencing reaction stereochemistry. The compound’s ketone functionality makes it reactive in nucleophilic addition and condensation reactions. Its steric hindrance and conformational stability also make it a valuable model in conformational and mechanistic studies in physical organic chemistry.