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Dimethylformamide → Methyl(2S,3S,5S)-5-(3-fluorophenoxy)-3-[(hydroxyamino)carbonyl]-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1-carboxylate

HRID 1010481
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1010481
[OH:1][C@H:2]1[CH2:7][N:6]([C:8]([O:10][CH3:11])=[O:9])[C@H:5]([C:12]([N:14]2[CH2:19][CH2:18][N:17]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH2:16][CH2:15]2)=[O:13])[C@@H:4]([C:26](OC)=[O:27])[CH2:3]1.O[C@H:31]1[CH2:36]N[C@H:34]([C:37](O)=O)[C@@H:33](C(OC)=O)[CH2:32]1.C1(N2CCNCC2)C=CC=CC=1.[F:56][P-](F)(F)(F)(F)F.[N:63]1([O:72][P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.CN(C)C=O.C(N(CC)C(C)C)(C)C.C(Cl)Cl.ClC(OC)=O>>[F:56][C:37]1[CH:36]=[C:31]([CH:32]=[CH:33][CH:34]=1)[O:1][C@@H:2]1[CH2:7][N:6]([C:8]([O:10][CH3:11])=[O:9])[C@H:5]([C:12]([N:14]2[CH2:19][CH2:18][N:17]([C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH2:16][CH2:15]2)=[O:13])[C@@H:4]([C:26]([NH:63][OH:72])=[O:27])[CH2:3]1
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Komponenten

9

Edukt 8

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6586Methyl chloroformateHCID 70961-PhenylpiperazineHCID 81531Diisopropylethylamine2×HCID 151348Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate
HCID 67304460
dimethyl(2S,3S,5R)-5-hydroxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
HCID 67305204(2S,3S,5R)-5-hydroxy-3-(methoxycarbonyl)piperidine-2-carboxylic acid

Produkt 1

HCID 86598247Methyl(2S,3S,5S)-5-(3-fluorophenoxy)-3-[(hydroxyamino)carbonyl]-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1-carboxylateAusbeute 83 %

Versuchsvorschrift

Part 7. dimethyl (2S,3S,5R)-5-hydroxy-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate: To a mixture of (2S,3S,5R)-5-hydroxy-3-(methoxycarbonyl)piperidine-2-carboxylic acid (3.140 g, 0.01545 mol), 1-phenyl-piperazine (2.597 mL, 0.01700 mol) and benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate (7.518 g, 0.01700 mol) in N,N-dimethylformamide (10.00 mL, 0.1291 mol) was added N,N-diisopropylethylamine (3.230 mL, 0.01854 mol) at 0 Celsius. After stirred at rt overnight the reaction mixture was diluted with methylene chloride (90.0 mL, 1.40 mol) and then cooled to 0 Celsius. To the mixture was added N,N-diisopropylethylamine (5.38 mL, 0.0309 mol) followed by methyl chloroformate (2.39 mL, 0.0309 mol). The mixture was stirred at rt for 2 h and then concentrated to dry. The residue was diluted with water and extracted with ethyl acetate. The combined organic layers were washed with brine, dried and concentrated to dry. The residue was purified on silica gel, eluting with 0 to 100% EtOAc in hexane, to give the titled compound (5.20 g, 83.0%). MS (ESI): (M+H)+=406.1.

Aufarbeitung

  1. temperaturecooled to 0 Celsius
  2. stirringThe mixture was stirred at rt for 2 h
  3. concentrationconcentrated
  4. customto dry
  5. additionThe residue was diluted with water
  6. extractionextracted with ethyl acetate
  7. washThe combined organic layers were washed with brine
  8. customdried
  9. concentrationconcentrated
  10. customto dry
  11. customThe residue was purified on silica gel
  12. washeluting with 0 to 100% EtOAc in hexane

Quellen und Nachweise

ORD-Eintrag
ord-cf05fabdabac4aa99bcaeb13a222a3cf
Quelldatensatz
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07973041B2

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