Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2-Benzisothiazol-3(2H)-one → 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid 4-methyl-benzylamide
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 1,2-Benzisothiazol-3(2H)-one | HCID 17520 | — |
| 반응물 | 1-(Isocyanatomethyl)-4-methylbenzene | HCID 2733388 | — |
| 생성물 | 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid 4-methyl-benzylamide | HCID 11266509 | — |
반응 단계
Following the synthetic procedure of 6a as described in Example 1, compound 61 (54% yield) was synthesized from benzo[d]isothiazol-3-one and 4-methylbenzyl isocyanate as a white solid. mp 171-173° C.; IR(KBr) 3281, 1711, 1650, 1538 cm−1; 1H-NMR (DMSO-d6) δ2.27 (s, 3H), 4.48 (d, J=5.8 Hz, 2H), 7.14 (d, J=8.2 Hz, 2H), 7.24 (d, J=8.2 Hz, 2H), 7.48 (t, J=7.8 Hz, 1H), 7.78 (t, J=8.2 Hz, 1H), 7.93 (d, J=7.8 Hz, 1H), 8.01 (d, J=8.2 Hz, 1H), 9.22 (br t, J=5.8 Hz, 1H); ESIMS m/e 299 (M++1).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US07595403B2 |
| 출처 데이터셋 | uspto-grants-2009_09 |
| ORD ID | ord-bff1c90f29a64a3b880c5189771a3953 |
| 출처 메모 | uspto-grants-2009_09 |