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

HRID 386505
ノート
印刷プレビュー

反応式

HRID 386505 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>C(Cl)Cl.C(O)C.[Pd]>[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 89.3%

試薬・触媒・溶媒 3

HCID 23938Palladium触媒3 回HCID 702Ethanol溶媒HCID 6344Dichloromethane溶媒

実験手順

To a solution of 2-(difluoromethoxy)-3,6-dimethyl-5-nitropyridine (33.4 g, 153 mmol) in methylene chloride (100 mL) and ethanol (600 mL) was added 10% palladium on charcoal (3.3 g). The resulting suspension was hydrogenated on a Parr device at 40 psi H2 for 1 h. TLC was used to monitor the reaction. Additional 3.3 g of palladium on charcoal were added hourly until no starting material remained. A total of 13.2 g of Pd/C was added. The reaction mixture was kept under an H2 atmosphere for 2 h after the last addition of catalyst. The reaction mixture was filtered through Celite and sand and the collected solids were washed with ethyl acetate (2×100 mL). The filtrate was concentrated in vacuo to give a grey oil, which was purified by column chromatography on silica gel (35%→50% ethyl acetate in hexanes) to furnish 6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine (25.7 g, 89% yield) as a pale yellow oil which solidified upon cooling in a refrigerator. The product was recrystallized from hexanes below 0° C. to afford white needles: mp 40-42° C.; 1H NMR (400 MHz, CDCl3) δ 7.35 (1, J=74.0 Hz, 1H), 6.84 (s, 1H), 2.27 (s, 3H), 2.15 (s, 3H); LRMS (ESI) m/e 189.2 [(M+H)+, calcd for Ca8H11N2OF2 189.1]. Anal calcd. for C8H10N2OF2: C, 51.12; H, 5.38; N, 14.86. Found: C, 51.17; H, 5.29; N, 14.87.

後処理

  1. customthe reaction
  2. waitThe reaction mixture was kept under an H2 atmosphere for 2 h
  3. additionafter the last addition of catalyst
  4. filtrationThe reaction mixture was filtered through Celite and sand
  5. washthe collected solids were washed with ethyl acetate (2×100 mL)
  6. concentrationThe filtrate was concentrated in vacuo
  7. customto give a grey oil, which
  8. customwas purified by column chromatography on silica gel (35%→50% ethyl acetate in hexanes)

出典と根拠

ORDレコード
ord-d9cc0f80faac4005a0fca157441e1e8b
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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