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2-Fluoro-3-iodopyrazine → Tert-butyl 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylate

HRID 473696
ノート
印刷プレビュー

反応式

HRID 473696 の反応式
[F:1][C:2]1[C:7](I)=[N:6][CH:5]=[CH:4][N:3]=1.[I-].[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH:20]([Zn+])[CH2:19][CH2:18]1)=[O:16])([CH3:13])([CH3:12])[CH3:11]>C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].[Cu]I.CC(N(C)C)=O>[F:1][C:2]1[C:7]([CH:20]2[CH2:21][CH2:22][N:17]([C:15]([O:14][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:16])[CH2:18][CH2:19]2)=[N:6][CH:5]=[CH:4][N:3]=1
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

6

反応物 2

HCID 153696932-Fluoro-3-iodopyrazineHCID 178452044HCID 178452044、化合物

生成物 1

HCID 59351396Tert-butyl 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylate

試薬・触媒・溶媒 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)触媒HCID 635956Ferrocene-1,1'-bis-(diphenylphosphine)触媒
HCID 31374
Dimethylacetamide
溶媒

反応条件

温度
80 °C

実験手順

In an oven-dried flask were charged 2-fluoro-3-iodopyrazine (0.829 g, 3.70 mmol), 1,1′-bis(diphenylphosphino)ferrocene]dichloride palladium(ii)complex with dichloramethane (0.091 g, 0.111 mmol), copper(i) iodide (0.042 g, 0.222 mmol), and DMA (3 mL). The resulting mixture was degassed with alternating vacuum/nitrogen purges. The (1-(tert-butoxycarbonyl)piperidin-4-yl)zinc(II) iodide (1.951 g, 5.18 mmol) solution from previous step was filtered into the mixture. It was degassed one more time and then heated to 80° C. with stirring for 16 h. After cooling to RT, the reaction mixture was treated with methyl tert-butylether (13 ml) and 1 N NH4Cl (13 ml). The organic layer was partitioned between EtOAc and 1 N NH4Cl and the aqueous layer was back extracted with EtOAc (2 x). The combined organic layer was washed with water, brine, dried (Na2SO4) and concentrated. The crude material was chromatographed through a Redi-Sep pre-packed silica gel column (40 g), eluting with a gradient of 0% to 20% EtOAc in hexane, to provide tert-butyl 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylate as orange oil. MS (ESI, pos. ion) m/z: 226.0 (M−56).

後処理

  1. customThe resulting mixture was degassed
  2. customIt was degassed one more time
  3. temperatureAfter cooling to RT
  4. additionthe reaction mixture was treated with methyl tert-butylether (13 ml) and 1 N NH4Cl (13 ml)
  5. customThe organic layer was partitioned between EtOAc and 1 N NH4Cl
  6. extractionthe aqueous layer was back extracted with EtOAc (2 x)
  7. washThe combined organic layer was washed with water, brine
  8. dry with materialdried (Na2SO4)
  9. concentrationconcentrated
  10. customThe crude material was chromatographed through a Redi-Sep pre-packed silica gel column (40 g)
  11. washeluting with a gradient of 0% to 20% EtOAc in hexane

出典と根拠

ORDレコード
ord-1a7e6978e35640858955ff95332a8f15
出典データセット
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08637500B2

反応ノート

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