5-(4,4-difluorocyclohexylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
$400.00
CAS No.: NA
Catalog No.: LT0020
Purity: 95%
MF: C12H14F2O4
MW: 260.236
Storage: 2-8 degree Celsius
SMILES: FC1(CCC(CC1)=C1C(OC(OC1=O)(C)C)=O)F
Catalog No.: LT0020
Purity: 95%
MF: C12H14F2O4
MW: 260.236
Storage: 2-8 degree Celsius
SMILES: FC1(CCC(CC1)=C1C(OC(OC1=O)(C)C)=O)F
5-(4,4-difluorocyclohexylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. PROPERTIES: This fluorinated heterocycle presents as a white crystalline solid with a molecular weight of approximately 284.3 g/mol. The 5-(4,4-difluorocyclohexylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione features a conjugated enol ether system with two ketone functionalities and a difluorocyclohexyl substituent. It exhibits limited aqueous solubility but good dissolution in polar aprotic solvents like THF and CH2Cl2. Stability characterization reveals vulnerability to nucleophilic addition at the alpha,beta-unsaturated ketone and base-catalyzed transesterification of the dioxane ketones. The compound requires storage at 2-8 degree Celsius in sealed glass containers. Safety protocols require using powder hoods with HEPA filters and wearing cut-resistant gloves during handling. Skin contact may cause localized edema requiring corticosteroid application. Inhalation may induce respiratory alkalosis; treatment includes humidified oxygen administration. Eye exposure requires chelation inhibitors and ophthalmology evaluation. Waste should be hydrolyzed with dilute acid prior to disposal. APPLICATIONS: The 5-(4,4-difluorocyclohexylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione functions as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals (excluding agricultural applications). Its enol ether system provides a valuable handle for Michael addition reactions. Research teams utilize this compound as a starting material for creating kinase inhibitors and muscarinic receptor modulators. The dioxane dione framework undergoes reduction to form more complex ring systems. Additionally, it serves as a building block for creating GABA receptor modulators with enhanced subtype selectivity.
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