2-Pyridin-4-yl-benzooxazol-5-ylamine → HCID 71662588, 화합물

HRID 64238

반응식

HRID 64238 반응식
[C:1]1([C@H:7]([CH3:11])[C:8]([OH:10])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:12][C:13]1[CH:14]=[CH:15][C:16]2[O:20][C:19]([C:21]3[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=3)=[N:18][C:17]=2[CH:27]=1>>[C:1]1([C@H:7]([CH3:11])[C:8]([NH:12][C:13]2[CH:14]=[CH:15][C:16]3[O:20][C:19]([C:21]4[CH:22]=[CH:23][N:24]=[CH:25][CH:26]=4)=[N:18][C:17]=3[CH:27]=2)=[O:10])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1

참가 물질

3

반응물 2

HCID 7360092-Pyridin-4-yl-benzooxazol-5-ylamineHCID 27246222-Phenylpropionic acid, (+)-

생성물 1

HCID 71662588HCID 71662588, 화합물

실험 절차

Similarly prepared as per compound 8, using starting materials (S)-2-phenylpropanoic acid and compound 4 (R, =2-pyridine) to obtained title compound Q48 as white solid (77%). 1H NMR (CDCl3, 400 MHz) δ 1.52 (d, J=7.2 Hz, 3H), 3.67 (q, J=7.2 Hz, 1H), 7.15 (t, J=8.4 Hz, 1H), 7.21-7.35 (m, 5H), 7.69 (s, 1H), 7.83 (s, 1H), 7.91 (d, J=5.6 Hz, 2H), 8.68 (d, J=5.2 Hz, 2H); 13C NMR (CDCl3, 100 MHz) δ 18.9, 31.1, 42.7, 48.0, 110.8, 112.2, 119.7, 120.5, 121.1, 127.7, 127.8, 128.1, 129.3, 134.3, 135.6, 141.1, 142.1, 147.7, 148.4, 149.1, 150.8, 161.4, 172.9; ESI-HRMS for C21H18N3O2(M+H)+ calcd. 344.1399. found 344.1397 purity (% ee >99, tR=8.07 min).

출처 및 근거

ORD 기록
ord-a0c6ae6520c24b5c9328ef336f31f926
출처 데이터셋
uspto-grants-2016_09
특허 번호
US09447134B2

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