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Acetic Acid → HCID 178523096、化合物

HRID 245677
ノート
印刷プレビュー

反応式

HRID 245677 の反応式
Cl.[F:2][C:3]1([F:7])[CH2:6][NH:5][CH2:4]1.[Cl:8][C:9]1[C:10]([CH2:15][NH:16][C:17]([CH:19]2[CH2:24][CH2:23][C:22](=O)[CH2:21][CH2:20]2)=[O:18])=[N:11][CH:12]=[CH:13][N:14]=1.C(O)(=O)C.C([BH3-])#N.[Na+]>ClCCl.CO>[Cl:8][C:9]1[C:10]([CH2:15][NH:16][C:17]([C@H:19]2[CH2:24][CH2:23][C@H:22]([N:5]3[CH2:6][C:3]([F:7])([F:2])[CH2:4]3)[CH2:21][CH2:20]2)=[O:18])=[N:11][CH:12]=[CH:13][N:14]=1.[Cl:8][C:9]1[C:10]([CH2:15][NH:16][C:17]([C@H:19]2[CH2:24][CH2:23][C@@H:22]([N:5]3[CH2:6][C:3]([F:7])([F:2])[CH2:4]3)[CH2:21][CH2:20]2)=[O:18])=[N:11][CH:12]=[CH:13][N:14]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 176Acetic AcidHCID 27582473,3-Difluoroazetidine hydrochlorideHCID 5003444Sodium cyanoborohydrideHCID 86674630N-((3-chloropyrazin-2-yl)methyl)-4-oxocyclohexanecarboxamide

生成物 2

HCID 178523096HCID 178523096、化合物HCID 178523097HCID 178523097、化合物

試薬・触媒・溶媒 1

HCID 21226129Dichloromethane methanol溶媒2 回

実験手順

3,3-Difluoroazetidine hydrochloride (5.60 mmol, 0.726 g) was dissolved in dichloromethane/methanol (20 mL; 1/1) and 15 g Si-Carbonate (Silicycle, Loading 0.7 mmol/g) was added. After 20 minutes this slurry was put on a column with 7 g of Si-Carbonate (Silicycle, Loading 0.7 mmol/g) and eluated with dichloromethane/methanol (40 mL; 1/1). The solution was concentrated (900 mbar, bath 45 deg) to a volume of 30 mL. To this solution N-((3-chloropyrazin-2-yl)methyl)-4-oxocyclohexanecarboxamide (3.74 mmol, 1 g), acetic acid (0.1 mL) and sodium cyanoborohydride (7.47 mmol, 0.469 g) were added and the reaction mixture stirred at room temperature. After 3 days the reaction mixture was concentrated, dichloromethane added and washed with aqueous sodium hydrogencarbonate and water. Both aqueous layers were extracted four times with dichloromethane. The combined organic extracts were dried (sodium sulfate) and concentrated in vacuo. Purification by column chromatography (silica gel, gradient heptanes/ethyl acetate 2/1 to ethyl acetate) yielded (trans)-N-((3-chloropyrazin-2-yl)methyl)-4-(3,3-difluoroazetidin-1-yl)cyclohexanecarboxamide (0.47 g) and (cis)-N-((3-chloropyrazin-2-yl)methyl)-4-(3,3-difluoroazetidin-1-yl)cyclohexanecarboxamide (0.49 g).

後処理

  1. concentrationThe solution was concentrated (900 mbar, bath 45 deg) to a volume of 30 mL
  2. concentrationAfter 3 days the reaction mixture was concentrated
  3. additiondichloromethane added
  4. washwashed with aqueous sodium hydrogencarbonate and water
  5. extractionBoth aqueous layers were extracted four times with dichloromethane
  6. dry with materialThe combined organic extracts were dried (sodium sulfate)
  7. concentrationconcentrated in vacuo
  8. customPurification by column chromatography (silica gel, gradient heptanes/ethyl acetate 2/1 to ethyl acetate)

出典と根拠

ORDレコード
ord-f401fdde1e5f4548b64e7f7325fa3c63
出典データセット
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08658794B2

反応ノート

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