2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride → HCID 46191403, 화합물

HRID 1630249노트

반응식

HRID 1630249 반응식
Cl.[N:2]1([CH2:7][C:8]([OH:10])=O)[CH:6]=[N:5][CH:4]=[N:3]1.[F:11][C:12]1[CH:41]=[CH:40][C:15]([O:16][C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24]([C@@H:26]3[CH2:30][C@@H:29]([CH2:31][C:32]4[CH:37]=[CH:36][CH:35]=[C:34]([O:38][CH3:39])[CH:33]=4)[CH2:28][NH:27]3)=[O:25])=[CH:19][CH:18]=2)=[CH:14][CH:13]=1>>[N:2]1([CH2:7][C:8]([N:27]2[CH2:28][C@H:29]([CH2:31][C:32]3[CH:37]=[CH:36][CH:35]=[C:34]([O:38][CH3:39])[CH:33]=3)[CH2:30][C@H:26]2[C:24]([NH:23][C:20]2[CH:21]=[CH:22][C:17]([O:16][C:15]3[CH:14]=[CH:13][C:12]([F:11])=[CH:41][CH:40]=3)=[CH:18][CH:19]=2)=[O:25])=[O:10])[CH:6]=[N:5][CH:4]=[N:3]1

참가 물질

3

반응물 2

HCID 448870502-(1H-1,2,4-triazol-1-yl)acetic acid hydrochlorideHCID 67010644(2S,4R)-N-(4-(4-fluorophenoxy)phenyl)-4-(3-methoxybenzyl)pyrrolidine-2-carboxamide

생성물 1

HCID 46191403HCID 46191403, 화합물수율 82%

실험 절차

Proceeding as in Example 1, but substituting 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride and (2S,4R)—N-(4-(4-fluorophenoxy)phenyl)-4-(3-methoxybenzyl)pyrrolidine-2-carboxamide, gave Compound 70, (2S,4R)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-N-(4-(4-fluorophenoxy)phenyl)-4-(3-methoxybenzyl)pyrrolidine-2-carboxamide (160 mg, 82%). 1H-NMR (400 MHz, CDCl3): σ 9.00 (s, 1H), 8.23 (s, 1H), 7.99 (s, 1H), 7.41 (d, 2H), 7.00 (t, 2H), 6.93-6.89 (m, 4H), 6.80-6.73 (m, 4H), 5.03 (d, 1H), 4.95 (d, 1H), 4.80 (d, 1H), 3.81 (s, 3H), 3.63 (dd, 1H), 3.27-3.16 (m, 1H), 3.02-2.88 (m, 2H), 2.68-2.59 (m, 2H), 1.76-1.68 (m, 1H). MS (EI) for C29H28FN5O4. found 530.2 (MH+).

출처 및 근거

ORD 기록
ord-1d08b910e0b54c43a0442c91ea25cab6
출처 데이터셋
uspto-grants-2014_07
특허 번호
US08791102B2

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