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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2249955Generated: October 27, 2026

Water → 4,4-Dimethyl-pent-2-enoic acid methyl ester

https://huagongshe.com/reaction/2249955

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPivalaldehydeHCID 12417—
ReactantMethyl diethylphosphonoacetateHCID 66113—
ReactantButyllithiumHCID 178418339—
SolventTetrahydrofuranHCID 8028—
Product4,4-Dimethyl-pent-2-enoic acid methyl esterHCID 558231—

Reaction Conditions

Temperature-78 °C

Reaction Steps

Methyl diethylphosphonoacetate (13.35 mL, 73.6 mmol, 1.05 eq.) was dissolved in THF (30 mL) and cooled to −78° C. in an acetone-dry ice bath. n-BuLi (1.6M in hexanes) (45.8 mL, 73.2 mmol, 1.05 eq.) was added slowly over 20 min. Trimethylacetaldehyde (6.0 g, 69.6 mmol, 1.0 eq.), was added to the reaction and allowed to stir at −78° C. for 20 minutes and warmed to room temperature and stirred overnight. Water (30 mL) was added to quench and extracted with ethyl ether (3×100 mL). The combined organics were washed with brine and dried over MgSO4, filtered and evaporated to provide 4,4-Dimethyl-pent-2-enoic acid methyl ester, a colorless liquid (8.52 g, 60.0 mmol, 86%) and was used directly in the next reaction. 1H NMR (CDCl3, 400 MHz) δ 0.89 (s, 9H), 3.64 (s, 3H), 5.64 (d, 1H, J=16.0 Hz), 6.88 (d, 1H, J=16.0 Hz).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07314872B2
Source datasetuspto-grants-2008_01
ORD IDord-85b27f4924e44d67b96575129df8651b
Source noteuspto-grants-2008_01