4,4-Dimethyl-2-cyclohexen-1-one

CAS: 1073-13-8

Ref. 3D-FD03153

Product Information

• Name: 4,4-Dimethyl-2-cyclohexen-1-one
• Synonyms: 4,4-Dimethyl-2-Cyclohexene-1-One, 4,4-Dimethyl-2-cyclohexenone, 4,4-Dimethylcyclohexenone, 4,4-Dimethylcyclohex-1-en-2-one, 4,4-Dimethylcyclohex-2-enone, 4,4-Dimethylcyclohex-2-en-1-one
• CAS: 1073-13-8

Description

4,4-Dimethyl-2-cyclohexen-1-one is a hydroxy ketone that can be synthesized by the stepwise process. It reacts with chlorine to produce 4,4'-dichlorodimethylcyclohexene. The chloride anion from the chlorination reaction is added to dimethylformamide (DMF) in a borohydride reduction reaction to form 4,4'-dichlorodimethylcyclohexane. The amination reaction of this compound with ammonia produces the desired product 4,4'-dimethyldihydrobenzophenone. The reactions are shown as follows:

The total isolated yield for this synthesis is 55%. This synthetic route has an activation energy of 107 kJ/mol and a reaction scheme as shown below:

• Brand: Biosynth

Chemical properties

• Molecular weight: 124.18 g/mol
• Formula: C₈H₁₂O
• Purity: Min. 95%
• InChI: InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
• InChI key: InChIKey=HAUNPYVLVAIUOO-UHFFFAOYSA-N
• SMILES: CC1(C)C=CC(=O)CC1