Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 729296생성일: 2026년 10월 25일
4-(Difluoromethoxy)aniline → 2-Butyl-5-(3-chlorophenyl)-4-{[4-(difluoromethoxy)phenyl]amino}isothiazol-3(2H)-one 1,1-dioxide
https://huagongshe.com/reaction/729296
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 4-(Difluoromethoxy)aniline | HCID 737363 | — |
| 반응물 | HCID 68661625 | HCID 68661625 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 생성물 | 2-Butyl-5-(3-chlorophenyl)-4-{[4-(difluoromethoxy)phenyl]amino}isothiazol-3(2H)-one 1,1-dioxide | HCID 11655461 | 73% |
반응 단계
2-Butyl-4-chloro-5-(3-chlorophenyl)isothiazol-3(2H)-one 1,1-dioxide (0.250 g, 0.75 mmol) and 4-(difluoromethoxy)aniline (0.238 g, 1.50 mmol) were mixed in MeCN (2 mL) and heated in a microwave reactor at 160° C. for 60 mins. The reaction mixture was evaporated and the residue was purified on a Horizon TM flash system using Heptane and EetOAc as eluant giving the title compound (0.25 g, 72.9%). 1H-NMR (500 MHz, CDCl3): δ 7.25-7.1 (m, 4H), 7.0 (s, 1H), 6.9-6.7 (dd, 4H), 6.4 (t, 1H, J=Hz), 3.8 (t, 2H), 1.95-1.8 (m, 2H), 1.55-1.45 (m, 2H), 1.05 (t, 3H); 13C-NMR (125 MHz, CDCl3): δ179.6, 159.0, 134.4, 133.3, 132.0, 129.9, 129.6, 129.6, 127.3, 124.3, 120.4, 115.9, 40.6, 30.4, 23.6, 20.3, 13.7; Mass Spectrum: M−H+ 456.
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-049b4f5c35354f6ba826ae9fcecb6c61 |
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| 출처 메모 | uspto-grants-2009_09 |
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