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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
ノート
印刷プレビュー

反応式

HRID 515810 の反応式
[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]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

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

生成物 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

試薬・触媒・溶媒 2

HCID 887Methanol溶媒HCID 962Water溶媒

反応条件

温度
60 °C

実験手順

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.

後処理

  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)

出典と根拠

ORDレコード
ord-bf636e1eb147411da19b303c8772aa66
出典データセット
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09108944B2

反応ノート

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