4,4-Dimethyl-2-cyclohexen-1-one
CAS:
Ref. 3D-FD03153
Product Information
Name:4,4-Dimethyl-2-cyclohexen-1-one
Brand:Biosynth
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:
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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