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Sodium Hydroxide → 2-(5-Amino-3-(trifluoromethyl)pyridin-2-yl)-2-methylpropanenitrile

HRID 1050075
ノート
印刷プレビュー

反応式

HRID 1050075 の反応式
O.O.[Sn](Cl)Cl.[CH3:6][C:7]([C:11]1[C:16]([C:17]([F:20])([F:19])[F:18])=[CH:15][C:14]([N+:21]([O-])=O)=[CH:13][N:12]=1)([CH3:10])[C:8]#[N:9].[OH-].[Na+]>CC(=O)OCC>[NH2:21][C:14]1[CH:15]=[C:16]([C:17]([F:20])([F:18])[F:19])[C:11]([C:7]([CH3:10])([CH3:6])[C:8]#[N:9])=[N:12][CH:13]=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 14798Sodium HydroxideHCID 61436Stannous chloride dihydrateHCID 904165742-Methyl-2-(5-nitro-3-(trifluoromethyl)pyridin-2-yl)propanenitrile

生成物 1

HCID 904159142-(5-Amino-3-(trifluoromethyl)pyridin-2-yl)-2-methylpropanenitrile収率 40.8%

試薬・触媒・溶媒 1

HCID 8857Ethyl Acetate溶媒

実験手順

Tin(II) chloride dihydrate (449 mg, 1.991 mmol) was added to a solution of 2-methyl-2-(5-nitro-3-(trifluoromethyl)pyridin-2-yl)propanenitrile (129 mg, 0.498 mmol) in EA (15 mL). The mixture was at 60° C. for 4 h. Then the solution was adjusted to pH=8-9 with 2N NaOH. The combined organic extract was washed with brine, dried over MgSO4, filtered and concentrated. The crude material was purified by preparative HPLC (MeCN/H2O as eluants, basic condition) to yield a white solid of 2-(5-amino-3-(trifluoromethyl)pyridin-2-yl)-2-methylpropanenitrile (46.48 mg, 0.203 mmol, 40.7% yield). TLC (PE/EA=1:1, Rf=0.3): 1H NMR (400 MHz, DMSO-d6) δ 8.04-8.17 (m, 1H), 7.31 (d, J=2.43 Hz, 1H), 5.97 (s, 2H), 1.70 (s, 6H); ES-LCMS m/z 230.1 (M+H).

後処理

  1. extractionThe combined organic extract
  2. washwas washed with brine
  3. dry with materialdried over MgSO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customThe crude material was purified by preparative HPLC (MeCN/H2O as eluants, basic condition)

出典と根拠

ORDレコード
ord-4f2592daac1a46039bded89658f21971
出典データセット
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09382238B2

反応ノート

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