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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 713009생성일: 2026년 10월 27일

Acetone → 4-(1-Hydroxy-1-methyl-ethyl)-3-methyl-benzoic acid

https://huagongshe.com/reaction/713009

반응식

참여 물질

역할이름HCID투입량
반응물AcetoneHCID 180—
반응물Hydrochloric AcidHCID 313—
반응물4-Bromo-3-methylbenzoic acidHCID 82131—
반응물ButyllithiumHCID 178418339—
용매TetrahydrofuranHCID 8028—
용매Sodium HydroxideHCID 14798—
생성물4-(1-Hydroxy-1-methyl-ethyl)-3-methyl-benzoic acidHCID 6815324542.3%

반응 조건

온도-78 °C

반응 단계

4-Bromo-3-methylbenzoic acid (3.96 g, 18.4 mmol) was dissolved in tetrahydrofuran (100 mL) and the solution was cooled to −78° C. n-Butyllithium in hexanes (16.2 mL of 2.5 M, 41 mmol) was added dropwise over 20 minutes. The reaction mixture was allowed to stir for 30 minutes at −78° C. and then acetone (1.35 mL, 18.4 mmol) was added in a dropwise manner. The reaction mixture was allowed to stir for 30 minutes at −78° C., and then allowed to warm to room temperature. The reaction mixture was then diluted with 1M aqueous sodium hydroxide (100 mL). The organic layer was discarded and then the aqueous layer was acidified with 4M aqueous hydrochloric acid. The aqueous layer was then extracted 3 times with ethyl acetate. The combined extracts were dried over sodium sulfate and then concentrated in vacuo. The crude material was purified by silica gel column chromatography using a gradient of 0-10% methanol in dichloromethane to give 4-(1-hydroxy-1-methyl-ethyl)-3-methyl-benzoic acid (1.51 g, 42%). 1H NMR (400 MHz, DMSO) δ 12.74 (s, 1H), 7.68 (dd, J=3.9, 2.5 Hz, 2H), 7.55 (d, J=8.7 Hz, 1H), 5.06 (s, 1H), 2.56 (s, 3H), 1.51 (s, 6H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09181273B2
출처 데이터셋uspto-grants-2015_11
ORD IDord-4ea9f53c876f4bdbbbdd547a63f80165
출처 메모uspto-grants-2015_11