Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)- → 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-oxetan-3-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)- | HCID 12228412 | — |
| 반응물 | 3-Iodooxetane | HCID 13356686 | — |
| 반응물 | Sodium hexamethyidisilazane | HCID 45051731 | — |
| 반응물 | 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene | HCID 58203847 | — |
| 촉매 | Nickel(II) iodide | HCID 26038 | — |
| 생성물 | 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-oxetan-3-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene | HCID 58203856 | — |
반응 단계
2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene was reacted with 3-iodooxetane in a CEM microwave vial with nickel(II)iodide, trans-2-aminocyclohexanol hydrochloride and sodium hexamethyldisilazane to give 529. MS(ESI+) 383.1. 1H NMR (400 MHz, DMSO) δ 8.34 (d, J=8.2 Hz, 1H), 7.27 (dd, J=8.2, 1.4 Hz, 1H), 7.08 (d, J=1.3 Hz, 1H), 5.76 (hept, J=6.8 Hz, 1H), 4.94 (dd, J=8.3, 5.9 Hz, 2H), 4.63 (t, J=6.3 Hz, 2H), 4.37 (t, J=5.0 Hz, 2H), 4.31-4.20 (m, 1H), 3.43 (t, J=5.0 Hz, 2H), 2.32 (s, 3H), 1.52 (d, J=6.6 Hz, 6H)
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US09175009B2 |
| 출처 데이터셋 | uspto-grants-2015_11 |
| ORD ID | ord-3d558b5e31c04efda4645b288f5d127b |
| 출처 메모 | uspto-grants-2015_11 |