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Sodium Cyanide → (R)-tert-butyl 2-(cyanomethyl)-4,4-difluoropyrrolidine-1-carboxylate

HRID 633345
ノート
印刷プレビュー

反応式

HRID 633345 の反応式
CS(O[CH2:6][C@@H:7]1[CH2:11][C:10]([F:13])([F:12])[CH2:9][N:8]1[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])(=O)=O.[C-:21]#[N:22].[Na+]>CS(C)=O>[C:21]([CH2:6][C@@H:7]1[CH2:11][C:10]([F:13])([F:12])[CH2:9][N:8]1[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])#[N:22]
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 8929Sodium CyanideHCID 86704454((S)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)methyl methanesulfonate

生成物 1

HCID 86704455(R)-tert-butyl 2-(cyanomethyl)-4,4-difluoropyrrolidine-1-carboxylate収率 76%

試薬・触媒・溶媒 1

HCID 679Dimethyl Sulfoxide溶媒

実験手順

A DMSO (40 ml) solution of ((S)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)methyl methanesulfonate and NaCN (1.59 g, 3.24 mmol) was stirred at 45° C. for 4 hours and at 50° C. for 2 days, the progress of the reaction was monitored by LC-MS. After cooling to room temperature, the reaction was quenched by the addition of water (˜60 ml). Reaction mixture was extracted with EtOAc (˜40 ml), two layers were separated, organic layer was washed with brine (˜25 ml), the extraction and wash sequence was repeated for two more times. Organic layers were combined, dried (Na2SO4), filtered, solvent was removed in vacuo. Product was purified by silica gel chromatography (Hexane/EtOAc, gradient from 100:0 to 80:20). Compound (R)-tert-butyl 2-(cyanomethyl)-4,4-difluoropyrrolidine-1-carboxylate was obtained as a colorless oil: 2.10 g (76% yield over 2 steps).

後処理

  1. customthe reaction was quenched by the addition of water (˜60 ml)
  2. customReaction mixture
  3. extractionwas extracted with EtOAc (˜40 ml), two layers
  4. customwere separated
  5. washorganic layer was washed with brine (˜25 ml)
  6. extractionthe extraction
  7. washwash sequence
  8. dry with materialdried (Na2SO4)
  9. filtrationfiltered
  10. customsolvent was removed in vacuo
  11. customProduct was purified by silica gel chromatography (Hexane/EtOAc, gradient from 100:0 to 80:20)

出典と根拠

ORDレコード
ord-32cdbe05448246f9835c61cbd7f73091
出典データセット
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09321763B2

反応ノート

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