Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 62072생성일: 2026년 10월 24일
Cesium carbonate → 1-(2-isopropylphenyl)-3-(3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propyl)urea
https://huagongshe.com/ko/reaction/62072
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Cesium carbonate | HCID 10796 | — |
| 반응물 | 2-Isopropylaniline | HCID 12561 | — |
| 반응물 | Triphosgene | HCID 94429 | — |
| 반응물 | Isocyanate | HCID 105034 | — |
| 반응물 | Sodium Bicarbonate | HCID 516892 | — |
| 반응물 | 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propan-1-amine | HCID 90404268 | — |
| 용매 | Water | HCID 962 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 용매 | Dichloromethane | HCID 6344 | — |
| 생성물 | 1-(2-isopropylphenyl)-3-(3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propyl)urea | HCID 118675095 | 16% |
반응 단계
To 2-isopropylaniline (0.50 g, 3.7 mmol) and sodium bicarbonate (0.93 g, 11 mmol) in dichloromethane and water (36 mL, 2:1) was added triphosgene (0.55 g, 1.9 mmol) at 0° C. The reaction was stirred until complete conversion to the isocyanate, as observed by thin layer chromatography. The reaction was then diluted with dichloromethane (100 mL), and the organic layer was separated from the water layer and concentrated. The residue obtained was dissolved in acetonitrile (15 mL) and 3-(4-(1-(4-(Trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propan-1-amine (1.2 g, 3.4 mmol) and cesium carbonate (1.1 g, 3.4 mmol) were added. The reaction was stirred at room temperature for 16 hours. The reaction was quenched with water (50 mL) and extracted with dichloromethane (3×100 mL). The organic layers were dried over sodium sulfate, filtered, and concentrated. Purification by flash column chromatography using high pressure liquid chromatography provided the title compound as an off-white solid (0.26 g, 16%).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09445594B2 |
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| 출처 데이터셋 | uspto-grants-2016_09 |
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| ORD ID | ord-da2468c4aa91404388d54bd8211891cb |
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| 출처 메모 | uspto-grants-2016_09 |
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