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Propanenitrile, 3-(methylamino)- → 5-(3-{[(2-Cyanoethyl)methylamino]methyl}-4-fluorophenylethynyl)-nicotinonitrile

HRID 606916
ノート
印刷プレビュー

反応式

HRID 606916 の反応式
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][C:10]2[CH:11]=[N:12][CH:13]=[C:14]([CH:17]=2)[C:15]#[N:16])=[CH:4][C:3]=1[CH:18]=O.[CH3:20][NH:21][CH2:22][CH2:23][C:24]#[N:25].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClC(Cl)C>[C:24]([CH2:23][CH2:22][N:21]([CH2:18][C:3]1[CH:4]=[C:5]([C:8]#[C:9][C:10]2[CH:11]=[N:12][CH:13]=[C:14]([CH:17]=2)[C:15]#[N:16])[CH:6]=[CH:7][C:2]=1[F:1])[CH3:20])#[N:25]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 69656Propanenitrile, 3-(methylamino)-HCID 5049666Sodium triacetoxyborohydrideHCID 848197895-((4-Fluoro-3-formylphenyl)ethynyl)nicotinonitrile

生成物 1

HCID 670482505-(3-{[(2-Cyanoethyl)methylamino]methyl}-4-fluorophenylethynyl)-nicotinonitrile収率 43%

試薬・触媒・溶媒 1

HCID 63651,1-Dichloroethane溶媒

実験手順

Dissolve 5-(4-fluoro-3-formylphenylethynyl)nicotinonitrile, (prepared as described in PREPARATION 38) (100 mg, 0.40 mmol) in dichloroethane (2 mL) and treat with N-methyl-β-alaninenitrile (0.041 mL, 0.44 mmol) and sodium triacetoxyborohydride (110 mg, 0.52 mmol). After stirring for 5.5 h, quench with water (2 mL), dilute with dichloromethane and extract three times with 0.5 N hydrochloric acid, but thin layer chromatography shows some product still remaining in the organic phase. Add 1 N sodium hydroxide to the aqueous layer until it is basic then extract twice with ethyl acetate. Combine the dichloromethane layer with the ethyl acetate extracts and wash with an aqueous saturated solution of sodium chloride, dry (sodium sulfate), filter, and concentrate. Purify by silica gel chromatography, eluting with 90:10 to 80:20 dichloromethane:ethyl acetate, to give the title compound as a white crystalline solid (55 mg, 43%).

後処理

  1. dissolutionDissolve
  2. customquench with water (2 mL)
  3. additiondilute with dichloromethane
  4. extractionextract three times with 0.5 N hydrochloric acid, but thin layer chromatography
  5. additionAdd 1 N sodium hydroxide to the aqueous layer until it
  6. extractionis basic then extract twice with ethyl acetate
  7. washwash with an aqueous saturated solution of sodium chloride
  8. dry with materialdry (sodium sulfate)
  9. filtrationfilter
  10. concentrationconcentrate
  11. customPurify by silica gel chromatography
  12. washeluting with 90:10 to 80:20 dichloromethane

出典と根拠

ORDレコード
ord-213e0b1ce0c842d895a216237d97c343
出典データセット
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07915424B2

反応ノート

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