Trifluoroacetic acid → HCID 178461300, 화합물

HRID 2194573노트

반응식

[CH3:1][C@@H:2]1[CH2:7][CH2:6][C@H:5]([NH:8][C:9]2[N:14]=[C:13]([O:15][CH2:16][CH:17]3[CH2:20][N:19](C(OC(C)(C)C)=O)[CH2:18]3)[C:12]([C:28]3[CH:33]=[CH:32][C:31]([N:34]4[CH2:39][CH2:38][O:37][CH2:36][CH2:35]4)=[CH:30][CH:29]=3)=[CH:11][N:10]=2)[CH2:4][CH2:3]1.C(O)(C(F)(F)F)=O>>[NH:19]1[CH2:18][CH:17]([CH2:16][O:15][C:13]2[C:12]([C:28]3[CH:29]=[CH:30][C:31]([N:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)=[CH:32][CH:33]=3)=[CH:11][N:10]=[C:9]([NH:8][C@H:5]3[CH2:6][CH2:7][C@@H:2]([CH3:1])[CH2:3][CH2:4]3)[N:14]=2)[CH2:20]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 178452153HCID 178452153, 화합물

생성물 1

HCID 178461300HCID 178461300, 화합물

실험 절차

Using the procedure of Example 1 Step 4, tert-butyl 3-((2-(cis-4-methylcyclohexylamino)-5-(4-morpholinophenyl)pyrimidin-4-yloxy)methyl)azetidine-1-carboxylate was deprotected by TFA to provide the title compound at quantitative yield. 1H NMR (CDCl3, 400 MHz) 8.02 (s, 1H), 7.32 (d, 2H), 6.87 (d, 2H), 5.24 (sb, 1H), 4.42 (d, 2H), 4.05 (m, 1H), 3.82-3.80 (m, 4H), 3.65 (m, 2H), 3.50 (m, 2H), 3.14-3.11 (m, 4H), 3.05 (bs 1H), 3.03-2.97 (m, 1H), 1.79-1.48 (m, 6H), 1.23-1.18 (m, 3H), 0.88 (d, 3H); MS (ESI) m/z: Calc: 437.3 (M+). Found. 438.3 (M+1).

출처 및 근거

ORD 기록: ord-637f2c6117b6451ca7c2dd59b45bb2e7
출처 데이터셋: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08334292B1

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