4-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid tert-butyl ester → HCID 46833515, 화합물

HRID 1510294노트

반응식

HRID 1510294 반응식
C([O:5][C:6](=[O:43])[C:7]1[CH:12]=[CH:11][C:10]([N:13]2[CH2:18][CH2:17][CH:16]([C:19]3[CH:24]=[CH:23][C:22]([NH:25][C:26]([C:28]4[N:29]=[C:30]([C:37]5[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=5)[O:31][C:32]=4[C:33]([F:36])([F:35])[F:34])=[O:27])=[CH:21][CH:20]=3)[CH2:15][CH2:14]2)=[CH:9][CH:8]=1)(C)(C)C>C(Cl)Cl.FC(F)(F)C(O)=O>[C:37]1([C:30]2[O:31][C:32]([C:33]([F:34])([F:35])[F:36])=[C:28]([C:26]([NH:25][C:22]3[CH:21]=[CH:20][C:19]([CH:16]4[CH2:15][CH2:14][N:13]([C:10]5[CH:9]=[CH:8][C:7]([C:6]([OH:43])=[O:5])=[CH:12][CH:11]=5)[CH2:18][CH2:17]4)=[CH:24][CH:23]=3)=[O:27])[N:29]=2)[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1

참가 물질

4

반응물 1

HCID 674271094-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid tert-butyl ester

생성물 1

HCID 46833515HCID 46833515, 화합물수율 69%

시약·촉매·용매 2

HCID 6344Dichloromethane용매HCID 6422Trifluoroacetic acid용매

실험 절차

The above 4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid tert-butyl ester (40 mg) was dissolved in a mixture of methylene chloride (2 mL) and trifluoroacetic acid (2 mL). The mixture was stirred at room temperature for 1 hr and solvents were evaporated. The residue was extracted with ethyl acetate and water. The organic layer was dried and solvents were evaporated. The residue was triturated with ethyl acetate to give a solid as 4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid (25 mg). LC-MS for C29H24F3N3O4 (m/e) calcd 535, obsd 536 (M+H). 1H-NMR is consistent with the desired structure.

후처리

  1. customsolvents were evaporated
  2. extractionThe residue was extracted with ethyl acetate and water
  3. customThe organic layer was dried
  4. customsolvents were evaporated
  5. customThe residue was triturated with ethyl acetate

출처 및 근거

ORD 기록
ord-5fb5cd5923a84ec28dd8b7c17af26d2b
출처 데이터셋
uspto-grants-2012_07
특허 번호
US08211914B2

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