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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 357231생성일: 2026년 10월 25일

Hydrochloric Acid → Rofecoxib

https://huagongshe.com/reaction/357231

반응식

참여 물질

역할이름HCID투입량
반응물Hydrochloric AcidHCID 313—
반응물Phenylacetic AcidHCID 999—
반응물TriethylamineHCID 8471—
반응물1,8-Diazabicyclo(5.4.0)undec-7-eneHCID 81184—
반응물2-Bromo-4'-(methylsulfonyl)acetophenoneHCID 735823—
용매WaterHCID 962—
용매AcetonitrileHCID 6342—
용매DichloromethaneHCID 6344—
생성물RofecoxibHCID 5090—

반응 단계

To a solution of phenylacetic acid (27.4 g, 201 mmol) and 2-bromo-1-(4-(methylsulfonyl)phenyl)ethanone (Example 9, Step 1) (60 g, 216 mmol, 1.075 eq.) in acetonitrile (630 mL) at 25° C. was added slowly triethylamine (30.8 mL, 1.1 eq.). The mixture was stirred for 20 min. at room temperature and then cooled in an ice bath. DBU (60.1 mL, 3 eq.) was slowly added. After stirring for 20 min. in the ice bath, the reaction was complete and the mixture was acidified with 1N HCl (color changes from dark brown to yellow). Then 2.4 L of ice and water were added, stirred for a few minutes, then the precipitate was filtered and rinsed with water (giving 64 g of crude wet product). The solid was dissolved in 750 mL of dichloromethane (dried over MgSO4, filtered) and 300 g of silica gel was added. The solvent was evaporated to near dryness (silica gel a bit sticky) and the residue was applied on top of a silica gel plug (sintered glass funnel) eluted with 10% EtOAc/CH2 Cl2, giving after evaporation of the solvent and swish in ethyl acetate, 36.6 g (58%) of the title compound.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US05840746
출처 데이터셋uspto-grants-1998_11
ORD IDord-dff25473e78c4ab0afd4c64eb2147088
출처 메모uspto-grants-1998_11