Beta-Alanine → N-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-beta-alanine

HRID 219578

반응식

HRID 219578 반응식
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)=[C:11]([C:19]2[O:23][N:22]=[C:21]([C:24]3[CH:31]=[CH:30][C:27]([CH:28]=O)=[CH:26][CH:25]=3)[N:20]=2)[N:10]=[N:9]1.[NH2:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36]>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([C:13]2[CH:14]=[CH:15][N:16]=[CH:17][CH:18]=2)=[C:11]([C:19]2[O:23][N:22]=[C:21]([C:24]3[CH:25]=[CH:26][C:27]([CH2:28][NH:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])=[CH:30][CH:31]=3)[N:20]=2)[N:10]=[N:9]1

참가 물질

3

반응물 2

HCID 239Beta-AlanineHCID 866481594-(5-(1-(2-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl) benzaldehyde

생성물 1

HCID 59604152N-(4-{5-[1-(2-fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)-beta-alanine

실험 절차

The title compound was prepared following the procedure described for Example 94, but starting from 4-(5-(1-(2-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl)benzaldehyde, obtained as described in Example 113, Step 1, (100 mg; 0.24 mmol) and β-alanine (43.2 mg; 0.48 mmol) to give Example 127 as a white solid. 1H NMR: (DMSO-d6, 400 MHz) δ 8.75 (2H, dd, J=4.5, 1.6 Hz), 7.97 (2H, d, J=8.1 Hz), 7.91 (1H, td, J=7.6, 1.7 Hz), 7.76-7.69 (1H, m), 7.61 (2H, dd, J=4.5, 1.7 Hz), 7.58 (2H, d, J=8.1 Hz), 7.55-7.45 (2H, m), 3.87 (2H, s), 2.81-2.68 (2H, m), 2.39 (2H, t, J=6.7 Hz). LC/MS (Method C): 484 (M+H)+. HPLC (Method F) Rt 2.83 min (Purity: 99.2%).

후처리

  1. customobtained

출처 및 근거

ORD 기록
ord-95b5a593031940f4a52a3d3ff523326d
출처 데이터셋
uspto-grants-2012_06
특허 번호
US08202856B2

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