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Trimethylsilyl iodide → (4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one

HRID 529499
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Reaktionsgleichung

Reaktionsgleichung von HRID 529499
[O:1]=[C:2]1[C@@H:8]([NH:9]C(=O)OCC2C=CC=CC=2)[CH2:7][CH2:6][S:5][C@H:4]2[CH2:20][CH2:21][CH2:22][CH2:23][N:3]12.I[Si](C)(C)C>C(Cl)Cl>[NH2:9][C@H:8]1[CH2:7][CH2:6][S:5][C@H:4]2[CH2:20][CH2:21][CH2:22][CH2:23][N:3]2[C:2]1=[O:1]
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Komponenten

4

Edukt 2

HCID 85247Trimethylsilyl iodide2×HCID 86706212benzyl (4S,10aS)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate

Produkt 1

HCID 86706213(4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-oneAusbeute 82,5 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

To a solution of benzyl (4S,10aS)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylcarbamate (103 mg, 0.308 mmol) in DCM (2 mL) stirred at rt was added iodotrimethylsilane (0.054 mL, 0.40 mmol) dropwise. After addition, the resulting yellowish solution was stirred at rt under argon for 1 hr. Additional TMSI (0.054 mL, 0.40 mmol) was added. The yellowish reaction mixture stirred for an additional 1 hr. The reaction was quenched by addition of a drop of 1 N aqueous HCl and then diluted with EtOAc. The organic layer extracted with aqueous 1 N HCl (2×2.5 mL). The combined HCl extracts were washed with EtOAc and basified with 1 N aqueous NaOH solution to pH 9-10. The aqueous solution was extracted with DCM (3×10 mL). The combined DCM extracts were washed with saturated aqueous NaCl, dried over Na2SO4, filtered and concentrated to give (4S,10aS)-4-aminohexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one (50.8 mg, 0.254 mmol, 82% yield) as a colorless oil. Anal. Calcd. for C9H16N2OS m/z 200.3. found: 201.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 5.33 (t, J=3.8 Hz, 1H), 4.37-4.24 (m, 1H), 4.07 (dd, J=10.0, 4.5 Hz, 1H), 3.06-2.87 (m, 2H), 2.63 (ddd, J=14.5, 7.5, 3.2 Hz, 1H), 2.27-2.15 (m, 1H), 2.03-1.92 (m, 2H), 1.92-1.77 (m, 3H), 1.76-1.41 (m, 4H).

Aufarbeitung

  1. additionAfter addition
  2. customThe yellowish reaction mixture
  3. stirringstirred for an additional 1 hr
  4. customThe reaction was quenched by addition of a drop of 1 N aqueous HCl
  5. additiondiluted with EtOAc
  6. extractionThe organic layer extracted with aqueous 1 N HCl (2×2.5 mL)
  7. washThe combined HCl extracts were washed with EtOAc
  8. extractionThe aqueous solution was extracted with DCM (3×10 mL)
  9. washThe combined DCM extracts were washed with saturated aqueous NaCl
  10. dry with materialdried over Na2SO4
  11. filtrationfiltered
  12. concentrationconcentrated

Quellen und Nachweise

ORD-Eintrag
ord-ff7ab49eb03e4da6aafb60d23f6b47e0
Quelldatensatz
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09346852B2

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