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Hydrochloric Acid → 4-(3-(6-cyano-5-methylpyridin-3-yl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide

HRID 515810
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 515810
[C:1](Cl)(Cl)=[S:2].[C:5]([C:7]1([NH:12][C:13]2[CH:22]=[CH:21][C:16]([C:17]([NH:19][CH3:20])=[O:18])=[C:15]([F:23])[CH:14]=2)[CH2:11][CH2:10][CH2:9][CH2:8]1)#[N:6].N[C:25]1[CH:26]=[C:27]([CH3:33])[C:28]([C:31]#[N:32])=[N:29][CH:30]=1.Cl.CC(N(C)C)=[O:37]>O.CO>[C:31]([C:28]1[N:29]=[CH:30][C:25]([N:6]2[C:5](=[O:37])[C:7]3([CH2:8][CH2:9][CH2:10][CH2:11]3)[N:12]([C:13]3[CH:22]=[CH:21][C:16]([C:17]([NH:19][CH3:20])=[O:18])=[C:15]([F:23])[CH:14]=3)[C:1]2=[S:2])=[CH:26][C:27]=1[CH3:33])#[N:32]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 313Hydrochloric AcidHCID 10040ThiophosgeneHCID 31374DimethylacetamideHCID 218645665-Amino-3-methylpyridine-2-carbonitrile2×HCID 59296600N-Methyl 2-fluoro-4-(1-cyanocyclopentyl)aminobenzamide2×

Produkt 1

HCID 53373084
4-(3-(6-cyano-5-methylpyridin-3-yl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 887MethanolLösungsmittelHCID 962WaterLösungsmittel

Reaktionsbedingungen

Temperatur
60 °C

Versuchsvorschrift

Thiophosgene (0.35 mL) was added dropwise to a solution of 4-((1-cyanocyclopentyl)amino)-2-fluoro-N-methylbenzamide (Intermediate 103, 400 mg, 1.53 mmol) and 5-amino-3-methylpicolinonitrile (Intermediate 2, 303 mg, 2.28 mmol) in DMA (30 mL) under N2 atmosphere. The resulting mixture was stirred at 60° C. overnight. MeOH (22 mL) and HCl (2M, 11 mL) were added and the mixture was refluxed for 2 h then cooled to room temperature. The reaction mixture was poured into water (75 mL) and extracted with EtOAc. The organic layer was dried over sodium sulfate and concentrated in vacuo. The residue was purified by column chromatography on silica gel (1:5 EtOAc/petroleum ether), to afford 300 mg of 4-(3-(6-cyano-5-methylpyridin-3-yl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide as a light yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 8.74 (s, 1H), 8.47 (m, 1H), 8.17 (s, 1H), 7.78 (m, 1H), 7.55 (d, 1H), 7.41 (d, 1H), 2.81 (d, 3H), 2.60 (s, 3H), 2.29-2.21 (m, 4H), 1.72 (m, 2H), 1.41 (m, 2H). LCMS [M+1]+ 438.1.

Aufarbeitung

  1. temperaturethe mixture was refluxed for 2 h
  2. temperaturethen cooled to room temperature
  3. extractionextracted with EtOAc
  4. dry with materialThe organic layer was dried over sodium sulfate
  5. concentrationconcentrated in vacuo
  6. customThe residue was purified by column chromatography on silica gel (1:5 EtOAc/petroleum ether)

Quellen und Nachweise

ORD-Eintrag
ord-bf636e1eb147411da19b303c8772aa66
Quelldatensatz
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09108944B2

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