Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol → 9-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl]-2,5-diazatetracyclo[11.1.1.0[2,6].0[7,12]]pentadeca-3,5,7(12),8,10-pentaene-4-carboxamide
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | (R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol | HCID 86669593 | — |
| 반응물 | 10-Bromo-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2-carboxamide | HCID 86693081 | — |
| 생성물 | 9-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl]-2,5-diazatetracyclo[11.1.1.0[2,6].0[7,12]]pentadeca-3,5,7(12),8,10-pentaene-4-carboxamide | HCID 86693158 | — |
반응 단계
9-Bromo-2,5-diazatetracyclo[11.1.1.0[2,6].0[7,12]]pentadeca-3,5,7(12),8,10-pentaene-4-carboxamide (0.15 g) was reacted with (2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)but-3-yn-2-ol similar to as described in Procedure G to afford 24.2 mg of 9-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl]-2,5-diazatetracyclo[11.1.1.0[2,6].0[7,12]]pentadeca-3,5,7(12),8,10-pentaene-4-carboxamide following reverse phase hplc purification. MS (Q1) 390.1 (M)+. 1H NMR (400 MHz, DMSO) δ 8.65 (s, 1H), 7.84 (s, 1H), 7.52 (s, 1H), 7.30 (s, 2H), 7.09 (s, 1H), 6.72 (s, 1H), 4.98-4.88 (m, 1H), 3.78-3.68 (m, 1H), 3.15-3.02 (m, 2H), 2.62 (s, 3H), 1.85 (s, 3H), 1.66 (d, J=11.9 Hz, 2H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US09034866B2 |
| 출처 데이터셋 | uspto-grants-2015_05 |
| ORD ID | ord-3b771afb83104ec29207ea782b1736f4 |
| 출처 메모 | uspto-grants-2015_05 |