2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride → (S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-3-benzyloxy-N-(4-(4-fluorophenoxy)phenyl)propanamide

HRID 1630088

반응식

HRID 1630088 반응식
[NH2:1][C@@H:2]([CH2:20][O:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[C:3]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)=[CH:8][CH:7]=1)=[O:4].Cl.[N:30]1([CH2:35][C:36](O)=[O:37])[CH:34]=[N:33][CH:32]=[N:31]1>>[N:30]1([CH2:35][C:36]([NH:1][C@@H:2]([CH2:20][O:21][CH2:22][C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[C:3]([NH:5][C:6]2[CH:7]=[CH:8][C:9]([O:12][C:13]3[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=3)=[CH:10][CH:11]=2)=[O:4])=[O:37])[CH:34]=[N:33][CH:32]=[N:31]1

참가 물질

3

반응물 2

HCID 448870502-(1H-1,2,4-triazol-1-yl)acetic acid hydrochlorideHCID 67009137(S)-2-amino-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide

생성물 1

HCID 67009436(S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-3-benzyloxy-N-(4-(4-fluorophenoxy)phenyl)propanamide수율 66%

실험 절차

Proceeding as in Example 1, but substituting (S)-2-amino-3-(benzyloxy)-N-(4-(4-fluorophenoxy)phenyl)propanamide and 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride, gave Compound 149, (S)-2-(2-(1H-1,2,4-triazol-1-yl)acetamido)-3-benzyloxy-N-(4-(4-fluorophenoxy)phenyl)propanamide (45 mg, 66%). Major isomer: 1H-NMR (400 MHz, DMSO-D6): σ 10.26 (br s, 1H), 8.84-8.78 (d, 1H), 8.48 (s, 1H) 7.96 (s, 2H), 7.63-7.59 (d, 2H), 7.32-7.28 (m, 5H), 7.23-7.19 (t, 2H), 7.04-6.98 (m, 4H), 5.03 (s, 2H), 4.76-4.69 (m, 1H), 4.54 (s, 2H), 3.69-3.67 (d, 2H). MS (EI) for C26H24FN5O4. found 490.0 (MH+).

출처 및 근거

ORD 기록
ord-53e7c79aea994b61acf88a6a56b5702b
출처 데이터셋
uspto-grants-2014_07
특허 번호
US08791102B2

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