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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 25121생성일: 2026년 10월 25일

Water → N-Cbz4-(4-hydroxyphenyl)butylamine

https://huagongshe.com/reaction/25121

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참여 물질

역할이름HCID투입량
반응물WaterHCID 962—
반응물Benzyl chloroformateHCID 10387—
반응물Sodium BicarbonateHCID 516892—
반응물4-(4-aminobutyl)phenol HydrobromideHCID 11550522—
용매1,4-DioxaneHCID 31275—
생성물N-Cbz4-(4-hydroxyphenyl)butylamineHCID 11637991110.7%

반응 단계

4-(4-Hydroxyphenyl)butylamine hydrobromide (4) (197 g, 0.80 mole), water (1 L), 1,4-dioxane (1 L) and sodium bicarbonate (336 g, 4 mole) were combined and stirred while cooled in an ice-methanol cooling bath. Benzyl chloroformate (141 mL, 0.96 mole) was dripped in over 5 min. at −2° C. with no appreciable exotherm observed. This was stirred and allowed to warm to room temperature as the cooling bath thawed overnight. An additional quantity of benzyl chloroformate (8 mL, 0.54 mol) was dripped in and this was allowed to stir for 2 h. The product mixture was then evaporated to approximately 500 mL and transferred to a 2 L separatory funnel with ethyl acetate while decanting away from the solids. The aqueous layer was extracted with ethyl acetate (3×1 L). The extracts were combined, washed with brine, dried over sodium sulfate, filtered and evaporated to afford 265 g of the crude product. A portion of the crude product (130 g) was chromatographed (silica gel, 5:1 hexanes/ethyl acetate) using toluene to load the column. The remaining crude material was crystallized from 1:1 toluene/heptane. This material was suction filtered to collect the solid and washed with 1:1 toluene/heptane. This material was vacuum desiccated at 45° C. for 2 h. The combined yield of compound (29) was 150 g (62%) of a white crystalline solid. 1H NMR (300 MHz, CDCl3) δ 1.43-1.65 (m, 4H), 2.52 (t, J=7.4 Hz, 2H), 3.19 (q, J=6.4 Hz, 2H), 4.78 (br s, 1H), 5.09 (s, 2H), 5.77 (s, 1H), 6.74 (d, J=8.5 Hz, 2H), 6.98 (d, J=8.5 Hz, 2H), 7.34 (s, 5). CI MS m/z=300 [C18H21NO3+H]+.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US06858615B2
출처 데이터셋uspto-grants-2005_02
ORD IDord-4eb8c6e88162463b8a372a3e638cda39
출처 메모uspto-grants-2005_02