Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 421766생성일: 2026년 10월 27일
4-(Trifluoromethyl)aniline → 4-chloro-3-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
https://huagongshe.com/reaction/421766
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 4-(Trifluoromethyl)aniline | HCID 9964 | — |
| 반응물 | Sodium Carbonate | HCID 10340 | — |
| 반응물 | (8aR)-Octahydropyrrolo(1,2-a)pyrazine | HCID 7004239 | — |
| 반응물 | 2-Chloro-5-(chlorosulfonyl)benzoyl chloride | HCID 54550199 | — |
| 용매 | Methanol | HCID 887 | — |
| 용매 | Dichloromethane | HCID 6344 | — |
| 생성물 | 4-chloro-3-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide | HCID 46851655 | — |
반응 단계
To crude 2-chloro-5-(chlorosulfonyl)benzoyl chloride (2 mmol) in anhydrous dichloromethane (50 mL) was added (R)-octahydropyrrolo[1,2-a]pyrazine (0.252 g, 2 mmol) in dichloromethane (4 mL) slowly over 10 minutes at room temperature. Then sodium carbonate (0.46 g, 4.4 mmol) was added. The mixture was stirred at room temperature overnight. Then dichloromethane was removed by concentration, and 4-(trifluoromethyl)aniline (3.22 g, 20 mmol) was added. The mixture was stirred at 70° C. overnight. Then sodium carbonate (0.21 g, 2 mmol) and methanol (5 mL) were added at room temperature. The mixture was stirred for 30 minutes, then filtered, and concentrated. The residue was purified by chromatography on silica gel (ethyl acetate, then methanol/ethyl acetate=1:10) to give the titled compound: 1H NMR (500 MHz, DMSO-d6) δ ppm 1.30 (m, 1H), 1.55 (m, 1H), 1.70-2.00 (m, 4H), 2.60 (m, 2H), 2.80-3.50 (m, 4H), 4.40-4.60 (m, 1H), 7.30 (m, 2H), 7.62 (m, 2H), 7.82 (m, 3H), 11.00 (br s, 1H); MS (ESI) m/z 488 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08101614B2 |
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| 출처 데이터셋 | uspto-grants-2012_01 |
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| ORD ID | ord-bde3eae8bb844b0eb7e03af950d5186c |
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| 출처 메모 | uspto-grants-2012_01 |
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