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Ammonia → (RS)-1-(3,5-Difluorophenyl)ethylamine

HRID 1615786
ノート
印刷プレビュー

反応式

HRID 1615786 の反応式
[F:1][C:2]1[CH:3]=[C:4]([C:9](=O)[CH3:10])[CH:5]=[C:6]([F:8])[CH:7]=1.[NH3:12].CCO.[BH4-].[Na+]>CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-]>[F:1][C:2]1[CH:3]=[C:4]([CH:9]([NH2:12])[CH3:10])[CH:5]=[C:6]([F:8])[CH:7]=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 222AmmoniaHCID 702EthanolHCID 5185963',5'-DifluoroacetophenoneHCID 4311764Sodium borohydride

生成物 1

HCID 2783196(RS)-1-(3,5-Difluorophenyl)ethylamine

試薬・触媒・溶媒 1

HCID 11026Titanium isopropoxide触媒

実験手順

To a stirred mixture of 3′,5′-difluoroacetophenone (86.8 g, 0.556 mol) and 2 M NH3 in EtOH (1.4 L, 2.8 mol) was added titanium(IV) isopropoxide (326 mL, 1.11 mol) dropwise over 15 min stirring was continued at ambient temperature for 20 h. The mixture was cooled in an ice-water bath and sodium borohydride (31.5 g, 0.834 mol) was added in portions over 60 min. The reaction mixture was stirred for an additional 1 h, and then quenched with aqueous NH4OH (2 M, 1.3 L) followed by EtOAc (1 L). The resulting mixture was aged for 18 h and filtered through a pad of celite, washing with EtOAc (1 L). To the filtrate was added EtOAc (2 L) and H2O (1 L) containing NaCl (ca. 100 g). The mixture was shaken and allowed to separate. The organic layer was concentrated in vacuo to a volume of about 500 mL and partitioned between EtOAc (2 L) and saturated aqueous Na2CO3 (300 mL). The organic layer was dried (Na2SO4), filtered, and concentrated in vacuo to give the title compound. MS: m/z=182 (M+CH3CN−NH2).

後処理

  1. temperatureThe mixture was cooled in an ice-water bath
  2. stirringThe reaction mixture was stirred for an additional 1 h
  3. customquenched with aqueous NH4OH (2 M, 1.3 L)
  4. waitThe resulting mixture was aged for 18 h
  5. filtrationfiltered through a pad of celite
  6. washwashing with EtOAc (1 L)
  7. additionTo the filtrate was added EtOAc (2 L) and H2O (1 L)
  8. additioncontaining NaCl (ca. 100 g)
  9. stirringThe mixture was shaken
  10. customto separate
  11. concentrationThe organic layer was concentrated in vacuo to a volume of about 500 mL
  12. custompartitioned between EtOAc (2 L) and saturated aqueous Na2CO3 (300 mL)
  13. dry with materialThe organic layer was dried (Na2SO4)
  14. filtrationfiltered
  15. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-05d985d228dc46dd827cad4213295480
出典データセット
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08765759B2

反応ノート

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