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Hydrochloric Acid → dimethyl(2S,5R)-5-((trimethylsilyl)ethynyl)pyrrolidine-1,2-dicarboxylate

HRID 855808
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 855808
CO[CH:3]1[N:7]([C:8]([O:10][CH3:11])=[O:9])[C@H:6]([C:12]([O:14][CH3:15])=[O:13])[CH2:5][CH2:4]1.[CH3:16][Si:17]([C:20]#[C:21][Si](C)(C)C)([CH3:19])[CH3:18].[Sn](Cl)(Cl)(Cl)Cl.[Cl-].[Al+3].[Cl-].[Cl-].C(=O)(O)[O-].[Na+].Cl>C(Cl)Cl>[CH3:16][Si:17]([C:20]#[C:21][C@H:3]1[N:7]([C:8]([O-:10])=[O:9])[C@H:6]([C:12]([O-:14])=[O:13])[CH2:5][CH2:4]1)([CH3:19])[CH3:18].[CH3:16][Si:17]([C:20]#[C:21][C@@H:3]1[N:7]([C:8]([O:10][CH3:11])=[O:9])[C@H:6]([C:12]([O:14][CH3:15])=[O:13])[CH2:5][CH2:4]1)([CH3:19])[CH3:18]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 6

HCID 313Hydrochloric AcidHCID 24287Tin tetrachlorideHCID 84564Bis(trimethylsilyl)acetyleneHCID 516892Sodium BicarbonateHCID 6451240Aluminum(III) ChlorideHCID 11053097Dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

Produkt 2

HCID 11161884
dimethyl(2S,5R)-5-((trimethylsilyl)ethynyl)pyrrolidine-1,2-dicarboxylate
HCID 86592932(2S,5S)-5-((trimethylsilyl)ethynyl)pyrrolidine-1,2-dicarboxylate

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

To a cold −45° C. solution of dimethyl(2S)-5-methoxypyrrolidine-1,2-dicarboxylate (3.30 g, 15.20 mmol) and bistrimethylsilylacetylene (5.20 g, 30.4 mmol, 2.0 equiv) in methylene chloride (45 mL) was added a solution of tin (IV) chloride (1 M in methylene chloride, 20.0 mL, 20.0 mmol, 1.3 equiv) dropwise via syringe over 15 minutes. To the dark yellow solution was added solid aluminum chloride (2.77 g, 20.8 mmol, 1.4 equiv) in one portion. The resulting mixture was allowed to warm to room temperature and stirred at room temperature for 48 hours. The reaction mixture was carefully poured into aqueous sodium bicarbonate solution (100 mL) with ice cooling. A white precipitate forms and 1 M HCl (ca. 50 mL) was added until the solids dissolved. This mixture was extracted with ethyl acetate (2×200 mL). The combined organic layers were filtered, dried (sodium sulfate), filtered, and concentrated. The residue was chromatographed on a Biotage flash 40 M eluting with 70% hexane/30% ethyl acetate to afford (2S,5S)-5-((trimethylsilyl)ethynyl)pyrrolidine-1,2-dicarboxylate (trans compound Rf of 0.3 in 70% hexane/30% ethyl acetate) and dimethyl(2S,5R)-5-((trimethylsilyl)ethynyl)pyrrolidine-1,2-dicarboxylate (cis compound Rf of 0.2 in 70% hexane/30% ethyl acetate). Data for example ID: MS (DCI/NH3) m/e 284 (M+H)+; The compound exists as a mixture of rotomers. 1H NMR (300 MHz, CDCl3): δ ppm 4.60 (d, 1H), 4.51 (d, 1H), 4.30 (d, 1H), 4.24 (d, 1H), 3.62 (s, 3H), 3.59 (s, 3H), 3.57 (s, 3H), 3.54 (s, 3H), 2.40-2.28 (m, 2H), 2.11-2.04 (m, 2H), 1.90-1.81 (m, 4H), 0.0 (s, 18H). Data for example 1C: MS (DCI/NH3) m/e 284 (M+H)+; 1H NMR (300 MHz, CDCl3): δ ppm 4.55-4.40 (m, 1H), 4.20-4.15 (m, 1H), 3.59 (s, 6H), 2.15-1.89 (m, 4H), 0.00 (s, 9H).

Aufarbeitung

  1. dissolutiondissolved
  2. extractionThis mixture was extracted with ethyl acetate (2×200 mL)
  3. filtrationThe combined organic layers were filtered
  4. dry with materialdried (sodium sulfate)
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customThe residue was chromatographed on a Biotage flash 40 M
  8. washeluting with 70% hexane/30% ethyl acetate

Quellen und Nachweise

ORD-Eintrag
ord-11683094ded2427081eb1288841d8312
Quelldatensatz
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07262207B2

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