Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Water → 7-Oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzenesulfonate
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Water | HCID 962 | — |
| 반응물 | 4-Nitrobenzenesulfonyl chloride | HCID 7404 | — |
| 반응물 | Tropolone | HCID 10789 | — |
| 용매 | Pyridine | HCID 1049 | — |
| 생성물 | 7-Oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzenesulfonate | HCID 86660359 | 71% |
반응 단계
2-Hydroxycyclohepta-2,4,6-trienone (0.2 g, 1.7 mmol) was reacted with 4-nitrobenzenesulfonyl chloride (1.1 g, 4.9 mmol) in 5 mL of pyridine. Addition of 10 mL of water allowed for precipitation of PZBG-4c in 71% yield (0.38 g, 1.2 mmol) without the need for further purification. 1H NMR (400 MHz, DMSO) δ=8.45 (d, J=8.8 Hz, 2H), 8.22 (d, J=8.8 Hz, 2H), 7.52 (d, J=9.2 Hz, 1H), 7.46 (dd, J1=10.2 Hz, J2=3.6 Hz, 1H), 7.31 (dd, J1=9.8 Hz, J2=2 Hz, 1H), 7.15 (dd, J1=10.6 Hz, J2=3.6 Hz, 1H). 13C (100 MHz, CDCl3) δ=179.09, 154.86, 151.50, 141.95, 141.27, 138.59, 136.87, 132.06, 131.48, 130.42, 125.42. ESI-MS(+): m/z 308.01 [M+H]+, 324.73 [M+NH4]+
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08889638B2 |
| 출처 데이터셋 | uspto-grants-2014_11 |
| ORD ID | ord-9c6062c339ca40849b9f819f26ca3350 |
| 출처 메모 | uspto-grants-2014_11 |