Benzeneacetic acid, α,α-dimethyl-, ethyl ester

Pale Yellow Liquid

Synthesis of 2, 2-dimethylphenylacetic acid ethyl ester1) the α, α-dimethyl-phenylacetic acid is dissolved in ethanol in water-free, α, α-dimethylphenyl acetic acid in the molar concentration of anhydrous ethanol is 1.5-2mol/L, then adding equivalent to α, α-dimethyl benzyl acetic acid weight 2-3percent solid loading a heteropolyacid catalyst PWTo a solution of ethyl phenylacetate (32.8 g, 200 mmol) in THF (tetrahydrofurane) (1000 mL) under argon was added sodium bistrimethylsilylamide (2M in THF, 100 mL). After 45 minutes, methyl iodide (13 mL) was added over 15 minutes and the mixture was stirred at rt (room temperature) for 30 minutes. Additional sodium bistrimethylsilylamide (2M in THF, 100 mL) was added, followed, after 30 minutes, by methyl iodide (14 mL). After 30 minutes the mixture was diluted with hexane and washed with water. The organic phase was dried, filtered and evaporated to give (1'-ethoxycarbonyl-1'-methyl)ethylbenzene (28.0 g, 146 mmol, 73percent).General procedure: To a solution of 4’-methoxypropiophenone (328 mg, 2.0 mmol) in ethanol/triethyl orthoformate (2 mL/8 mL) was added 70percent perchloric acid (173 μL, 2.0 mmol), followed by addition of thallium(III) p-tosylate (1.44 g, 2.0 mmol) at 0 °C. The reaction mixture was stirred for 1.5 h between 0 °C and room temperature. The solvents were evaporated off under reduced pressure, and the residue was dissolved in methylene chloride (20 mL). The white precipitate was filtered off, and the resulting yellow solution was poured into saturated NaHCO

Molecular Weight:192.25
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes