Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

ETHYL ACETOACETATE PROPYLENE GLYCOL KETAL is a colorless liquid with a fresh, fruity odor reminiscent of apples and strawberries. It is mainly used to create fresh, fruity top notes to floral fragrances.
Thematerial is available by reaction of ethyl acetoacetate with propane-1,2-diol. Colorless liquid; soft, fruity notes.

Colourless liquid; Soft, fruity notes

Cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate is a fatty acid ester.

Preparation of 2-(2, 4-dimethyl-L3-dioxolan-2-yl)acetic acid [compoundThe acid 2-(2, 4-dimethyl-l, 3-dioxolan-2-yl)acetic acid was obtained as a derivative from saponification of the ester ethyl 2-(2, 4-dimethyl-l, 3-dioxolan-2-yl)acetate. The hydrolysis of ethyl 2-(2, 4-dimethyl-l, 3-dioxolan-2-yl)acetate in alkaline medium is described in different publications: a) Miranda et al, Tetrahedron, 1987, 143; b) Lelandais et al, Can. J. Chem., 1983, 584; c) Oku et al., J. Org. Chem., 1997, 2123. The acid was obtained with variable yields 50-82percent.3.6 g of ethyl 2-(2, 4-dimethyl-l, 3-dioxolan-2-yl)acetate in a solution of 1.18 g (1.1 equiv.) of KOH in 8 mL of water were mixed at room temperature under magnetic stirring. After 4 h, the basic aqueous layer was removed with 5 mL of tert-butyl methyl ether, recovering 257 mg (7percent) from the starting material. The aqueous layer was brought to dryness. The residue was stirred in a mixture with 2 ml NaCl-saturated water and 8 mL of CH2CI2 under vigorous stirring. H2SO4 were added until achieving an acidic pH. The organic layers were dried with sodium sulphate, filtered off and evaporated obtaining 2.344 g of the title compound (82percent considering the previously recovered 7percent).Example 1Preparation of 2-(2, 4-dimethyl-1, 3-dioxolan-2-yl)acetic acidThe acid 2-(2, 4-dimethyl-1, 3-dioxolan-2-yl)acetic acid was obtained as a derivative from saponification of the ester

Molecular Weight:188.22
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:188.10485899
Monoisotopic Mass:188.10485899
Topological Polar Surface Area:44.8
Heavy Atom Count:13
Complexity:192
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes