Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 267021생성일: 2026년 10월 24일
Potassium Carbonate → (S)-6-Fluoro-3-[1-(3-hydroxy-2-methylpropyl)-4-piperidinyl]-1,2-benzisothiazole fumarate
https://huagongshe.com/ko/reaction/267021
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Potassium Carbonate | HCID 11430 | — |
| 반응물 | Fumaric Acid | HCID 444972 | — |
| 반응물 | (R)-(-)-3-Bromo-2-methyl-1-propanol | HCID 10441885 | — |
| 반응물 | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisothiazole | HCID 18504976 | — |
| 촉매 | Bis(tetrabutylammonium) sulphate | HCID 11433187 | — |
| 용매 | Acetone | HCID 180 | — |
| 용매 | Water | HCID 962 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 용매 | Ethyl Acetate | HCID 8857 | — |
| 생성물 | (S)-6-Fluoro-3-[1-(3-hydroxy-2-methylpropyl)-4-piperidinyl]-1,2-benzisothiazole fumarate | HCID 22868569 | 69.1% |
반응 단계
A mixture of 6-fluoro-3-(4-piperidinyl)-1,2-benzisothiazole (4.6 g, 20 mmol), (R)-(-)-3-bromo-2-methyl-1-propanol (3.0 g, 20 mmol), K2CO3 (2.7 g, 20 mmol), tetrabutylammonium sulfate (0.058 g), CH3CN (95 ml) and H2O (19 ml) was stirred and refluxed for 4.5 hours. After standing at ambient temperature for 16 hours, the reaction was poured into H2O, and subsequent extractive workup of the aqueous with EtOAc yielded 6.8 g of a partially solidified oil. The product was purified by flash chromatography on silica gel, eluting the column with CH2Cl2, then 2% MeOH--CH2Cl2 and finally 5% MeOH--CH2Cl2. Concentration of the appropriate fractions yielded 5.2 g of a waxy solid. The solid was dissolved in acetone and fumaric acid (1.9 g, 1.0 eq) was added and the reaction briefly heated at reflux. The resultant fumarate salt precipitated from solution yielding 4.8 g of white solid. The compound was recrystallized from acetonitrile to yield 3.1 g (36%) of the alcohol as a white solid, m.p.=151°-153° C.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US05652241 |
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| 출처 데이터셋 | uspto-grants-1997_07 |
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| ORD ID | ord-4af2f7278e78442b8da877fd8733fd7d |
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| 출처 메모 | uspto-grants-1997_07 |
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