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Dimethyl Sulfoxide → (R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

HRID 82392
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 82392
C(Cl)(=O)C(Cl)=O.CS(C)=O.[OH:11][CH:12]1[C:16]2[N:17]=[CH:18][N:19]=[C:20]([N:21]3[CH2:26][CH2:25][N:24]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:23][CH2:22]3)[C:15]=2[C@H:14]([CH3:34])[CH2:13]1.O>C(Cl)Cl.CCOC(C)=O>[CH3:34][C@H:14]1[C:15]2[C:20]([N:21]3[CH2:26][CH2:25][N:24]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH2:23][CH2:22]3)=[N:19][CH:18]=[N:17][C:16]=2[C:12](=[O:11])[CH2:13]1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 65578Oxalyl chlorideHCID 59580348(R)-tert-butyl 4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

Produkt 1

HCID 59580350(R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylateAusbeute 79,7 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 6344DichloromethaneLösungsmittel4×HCID 8857Ethyl AcetateLösungsmittel2×

Versuchsvorschrift

To a −78° C. solution of oxalyl chloride (0.203 mL, 2.33 mmol) in 10 mL DCM was added dropwise by syringe a solution of DMSO (0.330 mL, 4.66 mmol) in 3 mL DCM. The reaction mixture was stirred 35 minutes, then a solution of (R)-tert-butyl 4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate (0.556 g, 1.66 mmol) in 5 mL DCM was added slowly by syringe. The reaction mixture was stirred another 1 hour at −78° C., after which neat TEA (1.09 mL, 7.81 mmol) was added. The reaction mixture was then allowed to warm to room temperature, stirred 30 minutes, and H2O was added. The mixture was extracted with 3×75 mL DCM, and the combined extracts were dried (Na2SO4), filtered, and concentrated in vacuo. The crude was purified on silica gel (Biotage 40M): the column was flushed with about 300 mL 4:1 DCM:EtOAc, then gradient to 1:4 DCM: EtOAc to give (R)-tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate (0.440 g, 79.6% yield) as a brown foam. MS (APCI+) m/z 333 [M+H]+. 1H NMR (CDCl3, 400 MHz) δ 8.73 (s, 1H), 3.93-3.82 (m, 2H), 3.74-3.48 (m, 7H), 2.96 (dd, J=19.6, 7.3 Hz, 1H), 2.34 (dd, J=19.6, 1.5 Hz, 1H), 1.50 (s, 9H), 1.32 (d, J=6.8 Hz, 3H).

Aufarbeitung

  1. stirringThe reaction mixture was stirred another 1 hour at −78° C.
  2. stirringstirred 30 minutes
  3. extractionThe mixture was extracted with 3×75 mL DCM
  4. dry with materialthe combined extracts were dried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe crude was purified on silica gel (Biotage 40M)
  8. customthe column was flushed with about 300 mL 4:1 DCM

Quellen und Nachweise

ORD-Eintrag
ord-a4c61d7bb0a943109b25547ac4084930
Quelldatensatz
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08846681B2

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