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2-(Difluoromethoxy)-3,6-dimethyl-5-nitropyridine → 6-(Difluoromethoxy)-2,5-dimethylpyridin-3-amine

HRID 386506
ノート
印刷プレビュー

反応式

HRID 386506 の反応式
[F:1][CH:2]([F:15])[O:3][C:4]1[C:9]([CH3:10])=[CH:8][C:7]([N+:11]([O-])=O)=[C:6]([CH3:14])[N:5]=1>CCO.C(O)(=O)C.[Fe]>[F:15][CH:2]([F:1])[O:3][C:4]1[N:5]=[C:6]([CH3:14])[C:7]([NH2:11])=[CH:8][C:9]=1[CH3:10]
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 1

HCID 445965852-(Difluoromethoxy)-3,6-dimethyl-5-nitropyridine

生成物 1

HCID 445968056-(Difluoromethoxy)-2,5-dimethylpyridin-3-amine収率 90%

試薬・触媒・溶媒 3

HCID 23925Iron触媒HCID 176Acetic Acid溶媒HCID 702Ethanol溶媒

実験手順

Alternate route. To a solution of 2-(difluoromethoxy)-3,6-dimethyl-5-nitropyridine (1.00 g, 4.58 mmol) in EtOH (40 mL) and acetic acid (4 mL) was added iron powder (1.26 g, 22.9 mmol). The reaction mixture was heated at a vigorous reflux with the aid of a heating mantle in a flask without a stir bar. After 1.75 h, the reaction mixture was cooled to room temperature and the iron powder was removed by filtration through a pad of Celite. The filtrate was concentrated and the residue was transferred to a separatory funnel containing saturated aqueous NaHCO3 (50 mL). The aqueous layer was extracted with EtOAc (3×100 mL). The combined organic layers were washed with brine, dried over MgSO4, filtered and concentrated. The residue was purified by MPLC on silica gel (20%→50% ethyl acetate in hexanes) to afford 6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine (774 mg, 90% yield) as a pale yellow solid identical to that prepared by Method A: mp 38.4-39.4° C.; 1H NMR (400 MHz, CDCl3) δ 7.35 (t, J=74.5 Hz, 1H), 6.82 (s, 1H), 2.26 (s, 3H), 2.14 (s, 3H); 13C NMR (100 MHz, CDCl3) δ 149.6, 137.4, 137.1, 127.4, 119.0, 115.0 (J=251.3 Hz), 19.3, 14.8; LRMS (ESI) m/e 189.0 [(M+H)+, calcd for C8H11N2OF2 189.1].

後処理

  1. temperatureThe reaction mixture was heated at
  2. temperaturea vigorous reflux with the aid of a heating mantle in a flask without a stir bar
  3. customthe iron powder was removed by filtration through a pad of Celite
  4. concentrationThe filtrate was concentrated
  5. customthe residue was transferred to a separatory funnel
  6. additioncontaining saturated aqueous NaHCO3 (50 mL)
  7. extractionThe aqueous layer was extracted with EtOAc (3×100 mL)
  8. washThe combined organic layers were washed with brine
  9. dry with materialdried over MgSO4
  10. filtrationfiltered
  11. concentrationconcentrated
  12. customThe residue was purified by MPLC on silica gel (20%→50% ethyl acetate in hexanes)

出典と根拠

ORDレコード
ord-0435c485b7894aa798d49a1f09846b3a
出典データセット
uspto-grants-2013_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08372847B2

反応ノート

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