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Sodium Hydroxide → Methyl (2S,4R)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylate

HRID 913200
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 913200
[NH:1]([C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])[CH2:2][C:3]([OH:5])=O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.[OH-].[Na+].Cl.[C:38]([NH:46][C@H:47]1[CH2:51][NH:50][C@H:49]([C:52]([O:54][CH3:55])=[O:53])[CH2:48]1)(=[O:45])[C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1>C1COCC1>[CH3:55][O:54][C:52]([C@@H:49]1[CH2:48][C@@H:47]([NH:46][C:38](=[O:45])[C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[CH2:51][N:50]1[C:3](=[O:5])[CH2:2][NH:1][C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])=[O:53]
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Komponenten

7

Edukt 5

HCID 14798Sodium HydroxideHCID 757711-HydroxybenzotriazoleHCID 78288N-(tert-butoxycarbonyl)glycineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 25001497methyl (2S,4R)-4-benzamidopyrrolidine-2-carboxylate hydrochloride

Produkt 1

HCID 25001500
Methyl (2S,4R)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylate
Ausbeute 74,2 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel2×

Versuchsvorschrift

To a solution of BOC-Gly-OH (28.13 g, 0.1606 mol) and 1-hydroxybenzotriazole (0.1686 mol, 25.64 g; contains 11.12 wt % H2O) in THF (1.3 L) was added N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride (0.1686 mol, 32.328 g) (Flask A). The mixture was stirred at ambient temperature for 4 h, then the stirring was stopped and the oily residue was allowed to settle. In a separate flask (Flask B), NaOH (0.1606 mol; 32 mL of 5N solution) was added to a suspension of (2S,4R)-methyl 4-benzamidopyrrolidine-2-carboxylate hydrochloride (0.1606 mol, 45.73 g) in THF (0.52 L) over 15 min. The mixture was stirred at ambient temperature for 10 min, during which time the solids mostly dissolved. The solution of HOBt ester prepared in Flask A was added to Flask B at ambient temperature over 15 min, leaving the oily residue behind. The residue in Flask A was washed with 250 mL of THF, and the THF solution was decanted from the heavy oil and added to the mixture in Flask B. The reaction mixture was stirred at ambient temperature for 40 min. Water (500 mL) was added, and the mixture was concentrated under vacuum to remove THF (˜550 mL residual volume). EtOAc (500 mL) was added, followed by brine (300 mL). The phases were separated and the aqueous phase was extracted with 2×300 mL of EtOAc. The combined organic fraction was washed with 2×250 mL of 1N HCl, 2×250 mL of sat. NaHCO3 solution, and 150 mL of brine, then dried over MgSO4, and concentrated to afford 48.31 g of (2S,4R)methyl-4-benzamido-1-(2-(tert-butoxycarbonylamino)acetyl)pyrrolidine-2-carboxylate as a foamy solid (74% yield).

Aufarbeitung

  1. stirringThe mixture was stirred at ambient temperature for 10 min, during which time the solids
  2. dissolutionmostly dissolved
  3. additionwas added to Flask B at ambient temperature over 15 min
  4. customleaving the oily residue behind
  5. washThe residue in Flask A was washed with 250 mL of THF
  6. customthe THF solution was decanted from the heavy oil
  7. additionadded to the mixture in Flask B
  8. stirringThe reaction mixture was stirred at ambient temperature for 40 min
  9. additionWater (500 mL) was added
  10. concentrationthe mixture was concentrated under vacuum
  11. customto remove THF (˜550 mL residual volume)
  12. additionEtOAc (500 mL) was added
  13. customThe phases were separated
  14. extractionthe aqueous phase was extracted with 2×300 mL of EtOAc
  15. washThe combined organic fraction was washed with 2×250 mL of 1N HCl, 2×250 mL of sat. NaHCO3 solution, and 150 mL of brine
  16. dry with materialdried over MgSO4
  17. concentrationconcentrated

Quellen und Nachweise

ORD-Eintrag
ord-da2e950dd44f404f8d94efd640c4a023
Quelldatensatz
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08026272B2

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