Ethyl Acetate → (S)-2-tert-butoxy-2-(2-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)phenyl)-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-6-yl)acetic acid

HRID 879626노트

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HRID 879626 반응식
[C:1]([O:5][C@@H:6]([C:11]1[C:38]([CH3:39])=[CH:37][C:14]2[N:15]=[C:16]([C:18]3[CH:19]=[C:20]([N:24]4[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]4)[CH:21]=[CH:22][CH:23]=3)[S:17][C:13]=2[C:12]=1[C:40]1[CH:45]=[CH:44][C:43]([Cl:46])=[CH:42][CH:41]=1)[C:7]([O:9]C)=[O:8])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].[NH4+].[Cl-].CCOC(C)=O>C1COCC1.CO>[C:1]([O:5][C@@H:6]([C:11]1[C:38]([CH3:39])=[CH:37][C:14]2[N:15]=[C:16]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([N:24]4[CH2:25][CH2:26][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:28][CH2:29]4)[CH:19]=3)[S:17][C:13]=2[C:12]=1[C:40]1[CH:41]=[CH:42][C:43]([Cl:46])=[CH:44][CH:45]=1)[C:7]([OH:9])=[O:8])([CH3:2])([CH3:3])[CH3:4]

참가 물질

7

반응물 4

HCID 8857Ethyl AcetateHCID 14798Sodium HydroxideHCID 25517Ammonium ChlorideHCID 86700435(S)-tert-butyl 4-(3-(6-(1-tert-butoxy-2-methoxy-2-oxoethyl)-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-2-yl)phenyl)piperazine-1-carboxylate

생성물 1

HCID 86700436(S)-2-tert-butoxy-2-(2-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)phenyl)-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-6-yl)acetic acid

시약·촉매·용매 2

HCID 887Methanol용매HCID 8028Tetrahydrofuran용매

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온도
60 °C

실험 절차

To a solution of (S)-tert-butyl 4-(3-(6-(1-tert-butoxy-2-methoxy-2-oxoethyl)-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-2-yl)phenyl)piperazine-1-carboxylate (from above) in THF (4 mL) and methanol (4 mL) was added sodium hydroxide solution (1.0 mL, 2 mmol, 2 M aqueous solution). The mixture was stirred at 60° C. for 18 h. A saturated solution of NH4Cl (20 mL) and EtOAc (15 mL) were added. The layers were separated, and the organic layer was dried, filtered, and concentrated in vacuo and used without further purification. LCMS-ESI+: calc'd for C35H41ClN3O5S: 650.2 (M+H+); Found: 650.2 (M+H+).

후처리

  1. customThe layers were separated
  2. customthe organic layer was dried
  3. filtrationfiltered
  4. concentrationconcentrated in vacuo
  5. customused without further purification

출처 및 근거

ORD 기록
ord-8d83b20bb8a14bb781c4638cf9fc058b
출처 데이터셋
uspto-grants-2015_03
특허 번호
US08987250B2

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