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Propionic Acid → Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

HRID 73498
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HRID 73498 반응식
C(O)(=O)CC.[BH4-].[Na+].[CH2:8]([O:15][C:16]([C@@H:18]1[CH2:23][CH2:22][C:21](=[N:24][O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:20][N:19]1CC1C=CC=CC=1)=[O:17])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.S(=O)(=O)(O)O.O.O.[C:47]([OH:52])(=[O:51])[C:48]([OH:50])=[O:49]>C(OCC)(=O)C.CO>[C:47]([OH:52])(=[O:51])[C:48]([OH:50])=[O:49].[CH2:26]([O:25][NH:24][C@H:21]1[CH2:20][NH:19][C@H:18]([C:16]([O:15][CH2:8][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)=[O:17])[CH2:23][CH2:22]1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 1032Propionic AcidHCID 1118Sulfuric AcidHCID 61373Oxalic acid dihydrateHCID 4311764Sodium borohydrideHCID 86675003benzyl (2S)-5-[(benzyloxy)imino]piperidine-2-carboxylic acid benzyl ester

생성물 1

HCID 70673933Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

시약·촉매·용매 2

HCID 887Methanol용매HCID 8857Ethyl Acetate용매2회

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온도
45 °C

실험 절차

Propanoic acid (140.6 ml, 1878.6 mmol, 6 eq) was added to a suspension of sodium borohydride (23.2 g, 626.2 mmol, 2 eq) in ethyl acetate (600 ml) and held until the reaction was deemed to be complete. The resulting solution was added to a solution of benzyl (2S)-5-[(benzyloxy)imino]piperidine-2-carboxylic acid benzyl ester in ethyl acetate (600 ml total volume) and sulphuric acid (83.4 ml, 1565 mmol, 5 eq) at −20° C. and held until reaction was deemed to be complete. The reaction was quenched by the addition of water (1000 ml), then neutralized with aqueous ammonia solution. The organic layer was washed with water and concentrated in vacuo to 400 ml. The solution was warmed to 45° C. and held at this temperature. Methanol (200 ml) at 40° C. was added, followed by a freshly prepared solution of oxalic acid dihydrate (39.5 g, 313.1 mmol) in methanol (100 ml). The mixture was cooled and the product was isolated by filtration. The solid was washed with an ethyl acetate/methanol mixture, then with ethyl acetate. The solid was dried to give benzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate (1:1) as a single isomer (79.4 g, 185 mmol, 59%).

후처리

  1. customheld until reaction
  2. customThe reaction was quenched by the addition of water (1000 ml)
  3. washThe organic layer was washed with water
  4. concentrationconcentrated in vacuo to 400 ml
  5. additionMethanol (200 ml) at 40° C. was added
  6. temperatureThe mixture was cooled
  7. customthe product was isolated by filtration
  8. washThe solid was washed with an ethyl acetate/methanol mixture
  9. customThe solid was dried

출처 및 근거

ORD 기록
ord-e6e0d34d40b64d529e78b7925acd16e7
출처 데이터셋
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08829191B2

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