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Citric Acid → (3S,5R)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)piperidine-3-carboxylic acid (1R)-1-phenylethylamine salt

HRID 1475178
ノート
印刷プレビュー

反応式

HRID 1475178 の反応式
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2N=CC=[C:9]([C@H:13](O)[C@@H]3N4C[C@H](C=C)C(CC4)C3)[C:7]=2[CH:8]=1.[O:25]=[C:26]1[O:33][C:32](=[O:34])[CH:31]2[CH2:35][CH:27]1[CH2:28][N:29]([C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37])[CH2:30]2.CO.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C(OCC)(=O)C.O1CCCC1>[C:7]1([C@H:9]([NH2:29])[CH3:13])[CH:6]=[CH:5][CH:4]=[CH:3][CH:8]=1.[C:39]([O:38][C:36]([N:29]1[CH2:30][C@H:31]([C:32]([O:2][CH3:1])=[O:34])[CH2:35][C@H:27]([C:26]([OH:33])=[O:25])[CH2:28]1)=[O:37])([CH3:42])([CH3:41])[CH3:40]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 311Citric AcidHCID 887MethanolHCID 5953(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolHCID 59778297Tert-butyl 2,4-dioxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate

生成物 1

HCID 86680826(3S,5R)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)piperidine-3-carboxylic acid (1R)-1-phenylethylamine salt収率 139.1%

試薬・触媒・溶媒 2

HCID 8028Tetrahydrofuran溶媒HCID 8857Ethyl Acetate溶媒

反応条件

温度
0 °C

実験手順

Under a nitrogen stream, quinidine (69.9 g, 0.215 mol) and tetrahydrofuran (200 mL) were charged and the mixture was cooled to −5 to 5° C. tert-Butyl 2,4-dioxo-3-oxa-7-azabicyclo[3,3,1]nonane-7-carboxylate (50.0 g, 0.196 mol) was added at the same temperature, and the used container was washed with tetrahydrofuran (50.0 mL). Methanol (9.41 g, 0.29 4 mol) was added dropwise at −5 to 5° C., and the mixture was stirred at −5 to 5° C. for 2 hr. To the reaction mixture were added ethyl acetate (350 mL) and 20 w/v % aqueous citric acid solution (250 mL), and the mixture was partitioned. The aqueous layer was extracted again with ethyl acetate (125 mL×2). The organic layers were combined and washed successively with 20 w/v % aqueous citric acid solution (250 mL) and water (250 mL×2). The organic layer was concentrated under reduced pressure. To the residue were added ethanol (100 mL) and ethyl acetate (450 mL), the mixture was heated to 60-70° C., and (R)-phenethylamine (23.7 g, 0.196 mol) was added. The mixture was stirred at 50-60° C. for 1 hr, at 20-30° C. for 1 hr and at −5 to 5° C. for 1 hr. The precipitated crystals were collected by filtration, washed with ethanol-ethyl acetate (2:9, 100 mL), and dried under reduced pressure at 50° C. to give (3S,5R)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)piperidine-3-carboxylic acid (1R)-1-phenylethylamine salt as a white crystalline powder (55.7 g, yield 69.6%).

後処理

  1. additionwas added at the same temperature
  2. washthe used container was washed with tetrahydrofuran (50.0 mL)
  3. customthe mixture was partitioned
  4. extractionThe aqueous layer was extracted again with ethyl acetate (125 mL×2)
  5. washwashed successively with 20 w/v % aqueous citric acid solution (250 mL) and water (250 mL×2)
  6. concentrationThe organic layer was concentrated under reduced pressure
  7. additionTo the residue were added ethanol (100 mL) and ethyl acetate (450 mL)
  8. temperaturethe mixture was heated to 60-70° C.
  9. stirringThe mixture was stirred at 50-60° C. for 1 hr, at 20-30° C. for 1 hr and at −5 to 5° C. for 1 hr
  10. filtrationThe precipitated crystals were collected by filtration
  11. washwashed with ethanol-ethyl acetate (2:9, 100 mL)
  12. customdried under reduced pressure at 50° C.

出典と根拠

ORDレコード
ord-7b11a1c7f0844f8d99589378eb88fa06
出典データセット
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09018374B2

反応ノート

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