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Sodium hydride → HCID 58465096、化合物

HRID 1185312
ノート
印刷プレビュー

反応式

HRID 1185312 の反応式
Cl[C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[O:11]1[CH2:16][CH2:15][CH:14]([CH2:17][OH:18])[CH2:13][CH2:12]1.[H-].[Na+]>CN(C=O)C>[CH3:7][N:6]1[C:2]([O:18][CH2:17][CH:14]2[CH2:15][CH2:16][O:11][CH2:12][CH2:13]2)=[C:3]([N+:8]([O-:10])=[O:9])[CH:4]=[N:5]1
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 24758Sodium hydrideHCID 2773573(Oxan-4-yl)methanolHCID 123448365-chloro-1-methyl-4-nitro-1H-pyrazole

生成物 1

HCID 58465096HCID 58465096、化合物収率 48%

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To a solution of 5-chloro-1-methyl-4-nitro-1H-pyrazole (0.2 g, 1.24 mmol) and tetrahydro-2H-pyran-4-yl-methanol (0.223 g, 1.92 mmol) in DMF (20 mL) cooled to 0° C. was added sodium hydride (60% dispersion in mineral oil, 0.128 g, 3.2 mmol) portionwise. The mixture was warmed to room temperature and stirred for 1 hr. The mixture was concentrated under reduced pressure and the residue dissolved in EtOAc. The organic layer was washed with water, separated and passed through a phase separator cartridge. The solvent was removed under reduced pressure and the crude product was purified via silica gel column chromatography (0-80% EtOAc/isohexane) to give 1-methyl-4-nitro-5-((tetrahydro-2H-pyran-4-yl)methoxy)-1H-pyrazole as a clear oil (143 mg, 48%). 1H NMR (400 MHz, CDCl3) δ 7.98 (s, 1H), 4.28 (d, J=6.3 Hz, 2H), 4.07-3.96 (m, 4H), 3.71 (s, 3H), 2.22-2.09 (m, 1H), 1.82-1.62 (m, 4H)

後処理

  1. concentrationThe mixture was concentrated under reduced pressure
  2. dissolutionthe residue dissolved in EtOAc
  3. washThe organic layer was washed with water
  4. customseparated
  5. customThe solvent was removed under reduced pressure
  6. customthe crude product was purified via silica gel column chromatography (0-80% EtOAc/isohexane)

出典と根拠

ORDレコード
ord-c098d0b9fbe24e3bbde4de0e00983d32
出典データセット
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08669361B2

反応ノート

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