Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 729288생성일: 2026년 10월 26일
Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- → 4-[(4-Azepan-1-ylphenyl)amino]-2-tert-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
https://huagongshe.com/reaction/729288
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Benzenamine, 4-(hexahydro-1H-azepin-1-yl)- | HCID 93643 | — |
| 반응물 | 2-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide | HCID 67242627 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 생성물 | 4-[(4-Azepan-1-ylphenyl)amino]-2-tert-butyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide | HCID 11655391 | 53.4% |
반응 단계
A mixture of 2-tert-butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide (0.150 g, 0.500 mmol), (4-azepan-1-ylphenyl)amine (0.095 g, 0.500 mmol) and TEA (0.070 ml, 0.500 mmol) in MeCN (2 ml) was heated in a microwave reactor at 120° C. for 65 mins. TEA (0.070 ml, 0.500 mol) was added and the reaction mixture was heated in a microwave reactor at 120° C. for 15 mins. The reaction mixture was filtered and the residue was purified by silica gel column chromatography using 15-20% EtOAc in petroleum ether 40-60° C. as eluent, to give the title compound (0.121 g, 53%). 1H NMR (500 MHz CDCl3): δ 7.16-7.04 (m, 5H), 7.00 (s, 1H), 6.53 (d, 2H), 6.23 (d, 2H), 3.33 (t, 4H), 1.77 (s, 9H), 1.73-1.61 (m, 4H), 1.50-1.45 (m, 4H); 13C NMR (125 MHz CDCl3): δ 160.4, 146.6, 131.8, 129.8, 128.5, 127.9, 125.4, 124.5, 124.3, 110.7, 108.3, 61.8, 49.7, 27.9, 27.3, 26.9; Mass Spectrum: M+H+ 454.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07582629B2 |
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| 출처 데이터셋 | uspto-grants-2009_09 |
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| ORD ID | ord-fb2635a947b04f7faf6728b41262a14a |
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| 출처 메모 | uspto-grants-2009_09 |
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