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122225-33-6

122225-33-6 Structure

122225-33-6 Structure
IdentificationBack Directory
[Name]

(R)-2-benzyl-4-tert-butoxy-4-oxobutanoic acid
[CAS]

122225-33-6
[Synonyms]

(R)-2-benzyl-4-tert-butoxy-4-oxobutanoic acid
(R)-2-Benzylbutanedioic acid 4-tert-butyl ester
Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
[Molecular Formula]

C15H20O4
[MDL Number]

MFCD12755810
[MOL File]

122225-33-6.mol
[Molecular Weight]

264.319
Chemical PropertiesBack Directory
[Melting point ]

57.0-59.8 °C
[Boiling point ]

400.4±38.0 °C(Predicted)
[density ]

1.118
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.17±0.10(Predicted)
[Appearance]

white solid
[CAS DataBase Reference]

122225-33-6
Questions And AnswerBack Directory
[Uses]

(R)-2-benzyl-4-tert-butoxy-4-oxobutyric acid is an organic intermediate that can be prepared from maleic anhydride and benzaldehyde through a six-step reaction.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

4-(tert-butyl)1-methyl(R)-2-benzylsuccinate

1229380-18-0

(R)-2-benzyl-4-tert-butoxy-4-oxobutanoic acid

122225-33-6

To a solution of tert-butyl (R)-4-methyl-2-benzyl succinate (308 mg, 1.11 mmol) in tetrahydrofuran (THF, 3 mL) was added an aqueous solution (3 mL) of lithium hydroxide (107 mg, 4.44 mmol). The reaction mixture was stirred at room temperature overnight. Completion of the reaction was confirmed by monitoring the progress of the reaction by thin layer chromatography (TLC, unfolding agent: cyclohexane/ethyl acetate = 7/3). The reaction mixture was acidified to pH = 1 with 2 M hydrochloric acid (HCl) and then extracted with dichloromethane (DCM, 2 x 20 mL). The organic layers were combined and the solvent was evaporated after separation by a phase separator. The crude product was purified by fast column chromatography (eluent: cyclohexane/ethyl acetate = 9/1 → 7/3), using the starting eluent as solution loading, to afford (R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid as a colorless oil. Yield: 274 mg (94%), purity > 95%, retention time (rt) = 4.17 min (gradient A), mass spectrum (M + H)+ = 209 (loss of tert-butyl).

[References]

[1] Patent: WO2010/66682, 2010, A1. Location in patent: Page/Page column 207-208
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