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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
Notes
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Reaction equation

HRID 515810 reaction equation
[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]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

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

Product 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

Reagents, catalysts & solvents 2

HCID 887MethanolSolventHCID 962WaterSolvent

Conditions

Temperature
60 °C

Procedure

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.

Workup

  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)

Sources & evidence

ORD record
ord-bf636e1eb147411da19b303c8772aa66
Source dataset
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09108944B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes