Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 2386566생성일: 2026년 10월 25일
m-Bromobenzenesulphonyl chloride → (S)-tert-butyl 4-(3-bromophenylsulfonyl)-3-methylpiperazine-1-carboxylate
https://huagongshe.com/reaction/2386566
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | m-Bromobenzenesulphonyl chloride | HCID 17943 | — |
| 반응물 | Diisopropylethylamine | HCID 81531 | — |
| 반응물 | Sodium Bicarbonate | HCID 516892 | — |
| 반응물 | 2-Bromobenzenesulfonyl chloride | HCID 520403 | — |
| 반응물 | (S)-1-Boc-3-methylpiperazine | HCID 7023035 | — |
| 용매 | Dichloromethane | HCID 6344 | — |
| 생성물 | (S)-tert-butyl 4-(3-bromophenylsulfonyl)-3-methylpiperazine-1-carboxylate | HCID 67044958 | 55% |
반응 단계
3-bromobenzene-1-sulfonyl chloride and (S)-tert-butyl 3-methylpiperazine-1-carboxylate was coupled following as follows: Dissolve 1 g (5 mmol) of the amine in 10 mL of methylene chloride. Add 2.0 eq. of diisopropyl ethylamine. Cool to 0° C. and add 1.5 equivalents of bromobenzene sulfonyl chloride dropwise (ca. 1 min) and stir for 5 min. Warm to rt and stir for an additional 16 h. Work up by adding a saturated solution of NaHCO3 and extracting with EtOAc. Wash the organic layer with HCl (1 N) followed by NaHCO3 and brine. Remove the solvent to afford crude, yellow oil. Purification of the sulfonamide derivative by Biotage on silica gel (99% MeOH/DCM) affords the desired product as a yellow oil. The yield was 55%. LC-MS showed the product was >95% pure and had the expected M+H+ of 420. 1H NMR (Varian 300 MHz, CDCl3, shifts relative to the solvent peak at 7.24 ppm) δ 7.9 (d, 1H) 7.72-7.65 (m, 2H) 7.4 (t, 1H), 3.7 (m, 2H) 3.6 (m, 1H), 3.13-3.0 (m, 2H) 2.92-2.77 (m, 2H), 1.4 (s, 12H) 1.0 (d, 3H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08268822B2 |
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| 출처 데이터셋 | uspto-grants-2012_09 |
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| ORD ID | ord-6798c97c0dce4f12b21b27cfcc39b060 |
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| 출처 메모 | uspto-grants-2012_09 |
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