Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 10205생성일: 2026년 10월 25일
Hydrochloric Acid → 1-(4-Fluorophenyl)-4-(3-{[(4-fluorophenyl)sulfonyl]methyl}azetidin-1-yl)butan-1-one hydrochloride
https://huagongshe.com/reaction/10205
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Hydrochloric Acid | HCID 313 | — |
| 반응물 | Sodium Iodide | HCID 5238 | — |
| 반응물 | Potassium Carbonate | HCID 11430 | — |
| 반응물 | 3-(4-Fluorobenzoyl)propyl chloride | HCID 19750 | — |
| 반응물 | 3-{[(4-Fluorophenyl)sulfonyl]methyl}azetidine hydrochloride | HCID 21978393 | — |
| 용매 | Diethyl Ether | HCID 3283 | — |
| 용매 | Methyl Ethyl Ketone | HCID 6569 | — |
| 용매 | Ethyl Acetate | HCID 8857 | — |
| 생성물 | 1-(4-Fluorophenyl)-4-(3-{[(4-fluorophenyl)sulfonyl]methyl}azetidin-1-yl)butan-1-one hydrochloride | HCID 11676331 | 6.6% |
반응 단계
A stirred mixture of 3-{[(4-fluorophenyl)sulfonyl]methyl}azetidine hydrochloride (150 mg, 0.56 mmol), 2-butanone (5 mL), potassium carbonate (0.25 g, 1.81 mmol), sodium iodide (20 mg, 0.13 mmol) and 4-chloro-1-(4-fluorophenyl)butan-1-one (115 μL, 0.68 mmol) was heated at reflux for 5 h under an inert atmosphere. The cooled reaction mixture was partitioned between EtOAc and water. The EtOAc extracts were washed with water and saturated brine then dried (MgSO4), filtered and concentrated in vacuo. The resultant material was purified by column chromatography on silica eluted with a gradient of 0–15% MeOH-EtOAc to give the free base. This was dissolved in EtOAc and treated with 1M HCl in diethyl ether. The solvents was removed in vacuo to give 1-(4-fluorophenyl)-4-(3-{[(4-fluorophenyl)sulfonyl]methyl}azetidin-1-yl)butan-1-one hydrochloride as a white solid (16 mg). 1H NMR (400 MHz, CD3OD) δ 1.90–1.99 (2H, m), 3.17 (2H, t, J=6.6 Hz), 3.25–3.35 (3H, m), 3.68 (2H, d, J=7.3 Hz), 4.0–4.2 (2H, br s), 4.2–4.4 (2H, br s), 7.20–7.27 (2H, m), 7.39–7.46 (2H, m), 7.98–8.04 (2H, m), 8.05–8.10 (2H, m). m/z (ES+) 394 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07094777B2 |
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| 출처 데이터셋 | uspto-grants-2006_08 |
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| ORD ID | ord-1c558c163b0846259c1e384d3e1982e0 |
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| 출처 메모 | uspto-grants-2006_08 |
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