2-(Trifluoromethyl)pyridine-4-carboxylic acid → (S)-N-(2-Chloro-4-(morpholin-2-yl)phenyl)-1-(4-cyanophenyl)-1H-pyrazole-4-carboxamide hydrochloride

HRID 571862

반응식

HRID 571862 반응식
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH:13]=[C:12]([C:14]([OH:16])=O)[CH:11]=[N:10]2)=[CH:5][CH:4]=1)#[N:2].FC(F)(F)C1C=C(C(O)=O)C=CN=1.C(OC([N:37]1[CH2:42][CH2:41][O:40][C@@H:39]([C:43]2[CH:48]=[CH:47][C:46]([NH2:49])=[C:45]([Cl:50])[CH:44]=2)[CH2:38]1)=O)(C)(C)C>>[ClH:50].[Cl:50][C:45]1[CH:44]=[C:43]([C@@H:39]2[O:40][CH2:41][CH2:42][NH:37][CH2:38]2)[CH:48]=[CH:47][C:46]=1[NH:49][C:14]([C:12]1[CH:11]=[N:10][N:9]([C:6]2[CH:5]=[CH:4][C:3]([C:1]#[N:2])=[CH:8][CH:7]=2)[CH:13]=1)=[O:16]

참가 물질

4

반응물 3

HCID 147614472-(Trifluoromethyl)pyridine-4-carboxylic acidHCID 432594251-(4-Cyanophenyl)-1H-pyrazole-4-carboxylic acidHCID 68325446(S)-tert-butyl 2-(4-amino-3-chlorophenyl)morpholine-4-carboxylate

생성물 1

HCID 71086869(S)-N-(2-Chloro-4-(morpholin-2-yl)phenyl)-1-(4-cyanophenyl)-1H-pyrazole-4-carboxamide hydrochloride

실험 절차

In analogy to example 83, step a) using 1-(4-cyanophenyl)-1H-Pyrazole-4-carboxylic acid (CAS 1152945-21-5)) instead of 2-(trifluoromethyl)-4-pyridinecarboxylic acid (CAS 131747-41-6) and (−)-(S)-2-(4-Amino-3-chloro-phenyl)-morpholine-4-carboxylic acid tert-butyl ester (example 29a) instead of (+)-(R)-2-(4-Amino-2-fluoro-phenyl)-morpholine-4-carboxylic acid tert-butyl ester. White solid. MS (ISP): 408.2 ([M+H]+)

출처 및 근거

ORD 기록
ord-69103bb4c3384b87955445e8dbabdcde
출처 데이터셋
uspto-grants-2015_05
특허 번호
US09029370B2

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