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Sodium hydride → (+/-)-3-amino-4-chloro-5-((4aR,8aR)-2-oxohexahydro-1H-pyrido[3,4-b][1,4]oxazin-6(7H)-yl)benzonitrile

HRID 1430906
ノート
印刷プレビュー

反応式

HRID 1430906 の反応式
[NH2:1][C:2]1[C:3]([Cl:22])=[C:4]([N:10]2[CH2:15][CH2:14][C@@H:13]([NH:16][C:17](=[O:20])[CH2:18]Cl)[C@H:12]([OH:21])[CH2:11]2)[CH:5]=[C:6]([C:8]#[N:9])[CH:7]=1.[H-].[Na+]>C1COCC1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[NH2:1][C:2]1[CH:7]=[C:6]([CH:5]=[C:4]([N:10]2[CH2:15][CH2:14][C@@H:13]3[C@H:12]([O:21][CH2:18][C:17](=[O:20])[NH:16]3)[CH2:11]2)[C:3]=1[Cl:22])[C:8]#[N:9]
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

5

反応物 2

HCID 24758Sodium hydrideHCID 86708610(+/-)-N-((3R,4R)-1-(3-amino-2-chloro-5-cyanophenyl)-3-hydroxypiperidin-4-yl)-2-chloroacetamide

生成物 1

HCID 86708613(+/-)-3-amino-4-chloro-5-((4aR,8aR)-2-oxohexahydro-1H-pyrido[3,4-b][1,4]oxazin-6(7H)-yl)benzonitrile収率 40.1%

試薬・触媒・溶媒 2

HCID 74236Tetrabutylammonium Bromide触媒
HCID 8028
Tetrahydrofuran
溶媒

反応条件

温度
0 °C

実験手順

(+/−)-N-((3R,4R)-1-(3-amino-2-chloro-5-cyanophenyl)-3-hydroxypiperidin-4-yl)-2-chloroacetamide (549 mg, 1.600 mmol) was dissolved in anhydrous THF. The solution was cooled to 0° C. sodium hydride (96 mg, 2.399 mmol) and tetrabutylammonium bromide (77 mg, 0.240 mmol) were added (briefly opening the reaction flask to air). The reaction mixture was stirred at 0° C. for 5 minutes, then the ice bath was removed and the mixture stirred at room temperature for 1.5 hours. The reaction was quenched with aq. NH4Cl solution. The reaction mixture was partitioned between water and EtOAc. The organic layer was washed with brine (+small amount of NaHCO3 solution), then dried over MgSO4. The organic layer was filtered and evaporated to dryness to give 0.85 g crude colorless solid, which was purified via silica gel chromatography: gradient from 100% DCM to 100% EtOAc, then isocratic at 100% EtOAc to afford (+/−)-3-amino-4-chloro-5-((4aR,8aR)-2-oxohexahydro-1H-pyrido[3,4-b][1,4]oxazin-6(7H)-yl)benzonitrile (197 mg).

後処理

  1. additionwere added (
  2. customthe ice bath was removed
  3. stirringthe mixture stirred at room temperature for 1.5 hours
  4. customThe reaction was quenched with aq. NH4Cl solution
  5. customThe reaction mixture was partitioned between water and EtOAc
  6. washThe organic layer was washed with brine (+small amount of NaHCO3 solution),
  7. dry with materialthen dried over MgSO4
  8. filtrationThe organic layer was filtered
  9. customevaporated to dryness
  10. customto give 0.85 g crude colorless solid, which
  11. customwas purified via silica gel chromatography

出典と根拠

ORDレコード
ord-8a63e81590a34404b9a00376b3ef6f8d
出典データセット
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08940736B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート