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2,3-Dichloro-5,6-dicyano-1,4-benzoquinone → 4-Benzyloxy-6-chloro-pyrazolo[1,5-a]pyrazine-3-carbonitrile

HRID 2209223
ノート
印刷プレビュー

反応式

HRID 2209223 の反応式
CC1C=C(C)C=C(C)C=1S([O-])(=O)=O.[NH2:14][N+:15]1[CH:20]=[C:19]([Cl:21])[N:18]=[C:17]([O:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:16]=1.[C:30](#[N:33])[CH:31]=[CH2:32].CCN(C(C)C)C(C)C.C(C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N)#N>O1CCOCC1>[CH2:23]([O:22][C:17]1[C:16]2[N:15]([N:14]=[CH:32][C:31]=2[C:30]#[N:33])[CH:20]=[C:19]([Cl:21])[N:18]=1)[C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 7855AcrylonitrileHCID 81531DiisopropylethylamineHCID 1178435431-Amino-3-(benzyloxy)-5-chloropyrazin-1-ium 2,4,6-trimethylbenzenesulfonate

生成物 1

HCID 1178438284-Benzyloxy-6-chloro-pyrazolo[1,5-a]pyrazine-3-carbonitrile

試薬・触媒・溶媒 1

HCID 31275
1,4-Dioxane
溶媒

実験手順

1-amino-3-(benzyloxy)-5-chloropyrazin-1-ium 2,4,6-trimethylbenzenesulfonate (5.34) (657 mg, 1.51 mmol) was suspended in 1,4-dioxane (5.75 mL) and acrylonitrile (0.23 mL, 3.5 mmol) was added followed by iPr2NEt (0.32 mL, 1.9 mmol). The resulting mixture was stirred for 1.75 h at r.t. and DDQ (720 mg, 3.2 mmol) was added in one portion. The resulting mixture was stirred an additional 1 h and was then partitioned between EtOAc, water and brine. The phases were separated and the aqueous phase was extracted with EtOAc. The combined organic phase was dried over Na2SO4, filtered, and concentrated. The concentrate was purified by silica gel chromatography (0-20% EtOAc in hexanes) to provide 4-(benzyloxy)-6-chloropyrazolo[1,5-a]pyrazine-3-carbonitrile. 1H NMR (400 MHz, Chloroform-d) δ 8.22 (s, 1H), 8.18 (s, 1H), 7.61-7.55 (m, 2H), 7.45-7.39 (m, 2H), 7.39-7.33 (m, 1H), 5.67 (s, 2H).

後処理

  1. stirringThe resulting mixture was stirred an additional 1 h
  2. customwas then partitioned between EtOAc, water and brine
  3. customThe phases were separated
  4. extractionthe aqueous phase was extracted with EtOAc
  5. dry with materialThe combined organic phase was dried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated
  8. customThe concentrate was purified by silica gel chromatography (0-20% EtOAc in hexanes)

出典と根拠

ORDレコード
ord-c76b946a745d4aefb848ad6a3ef96089
出典データセット
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09376441B2

反応ノート

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