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Water → 4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester

HRID 445033
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HRID 445033 반응식
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]([C:33]2[CH:38]=[CH:37][CH:36]=[C:35]([O:39][Si:40]([C:43]([CH3:46])([CH3:45])[CH3:44])([CH3:42])[CH3:41])[CH:34]=2)([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22](=[O:32])[N:23]([C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[CH:26]=3)[CH3:24])[CH:17]=2)O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].O.C1(C)C=CC(S(O)(=O)=O)=CC=1.C([O-])([O-])=O.[Na+].[Na+].O>C1C=CC=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=[C:14]([C:33]2[CH:38]=[CH:37][CH:36]=[C:35]([O:39][Si:40]([C:43]([CH3:46])([CH3:45])[CH3:44])([CH3:41])[CH3:42])[CH:34]=2)[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22](=[O:32])[N:23]([C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[CH:26]=3)[CH3:24])[CH:17]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:2])([CH3:4])[CH3:3]
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HCID 962WaterHCID 10340Sodium CarbonateHCID 521998p-Toluenesulfonic acid monohydrateHCID 697908904-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 69914374
4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester
수율 81.1%

시약·촉매·용매 1

HCID 241Benzene용매

실험 절차

A mixture of 4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester (3.59 g) and p-toluenesulfonic acid monohydrate (3.5 g) in benzene (200 mL) was refluxed overnight in a round bottom flask equipped with Dean-Stark trap. The reaction solution was cooled to room temperature. Saturated Na2CO3 solution (50 mL) was added to the solution, followed by the addition of 100 mL of H2O. The resulting mixture was extracted by EtOAc (300 mL). It was observed that solids were floating between the two layers. Consequently, 75 ml of 0.5 M NaOH solution was added to the mixture. After being stirred for 30 minutes, the mixture became clear. The organic layer and water layer were separated. The water layer was extracted by EtOAc (100 mL×1). The combined organic layer was washed by water (75 mL×2) and brine (75 mL×1), dried by Na2SO4 and concentrated to give 4-([3-(tert-butyl-dimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester (2.83 g; crude). TLC and 1H NMR of the crude product indicated a mixture of compounds, apparently including the desired dehydration product with the loss of N-Boc and/or O-TBDMS protecting groups. The crude product was carried to next step without purification.

후처리

  1. temperaturewas refluxed overnight in a round bottom flask
  2. customequipped with Dean-Stark trap
  3. extractionThe resulting mixture was extracted by EtOAc (300 mL)
  4. additionConsequently, 75 ml of 0.5 M NaOH solution was added to the mixture
  5. customThe organic layer and water layer were separated
  6. extractionThe water layer was extracted by EtOAc (100 mL×1)
  7. washThe combined organic layer was washed by water (75 mL×2) and brine (75 mL×1)
  8. dry with materialdried by Na2SO4
  9. concentrationconcentrated

출처 및 근거

ORD 기록
ord-0860876c248d4db7994dcb6d0f979272
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08476280B2

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