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Iodine → 2,6-Dichloro-5-fluoro-4-iodonicotinonitrile

HRID 75939
ノート
印刷プレビュー

反応式

HRID 75939 の反応式
C(NC(C)C)(C)C.C([Li])CCC.C([N-]C(C)C)(C)C.[Li+].[Cl:21][C:22]1[N:29]=[C:28]([Cl:30])[C:27]([F:31])=[CH:26][C:23]=1[C:24]#[N:25].[I:32]I.[O-]S([O-])(=S)=O.[Na+].[Na+]>C1COCC1>[Cl:21][C:22]1[N:29]=[C:28]([Cl:30])[C:27]([F:31])=[C:26]([I:32])[C:23]=1[C:24]#[N:25]
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

8

反応物 6

HCID 807IodineHCID 7912DiisopropylamineHCID 24477Sodium ThiosulfateHCID 2724682Lithium diisopropylamideHCID 27338492,6-Dichloro-5-fluoro-3-pyridinecarbonitrileHCID 178418339Butyllithium

生成物 1

HCID 86620623
2,6-Dichloro-5-fluoro-4-iodonicotinonitrile
収率 87.5%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
-78 °C

実験手順

To a solution of diisopropylamine (15.9 g, 157 mmol) in THF (400 ml) at −78° C. was added n-butyllithium (2.5 M hexanes, 154 mmol), and the solution was stirred at −78° C. for 30 minutes. The lithium diisopropylamide solution was then added slowly dropwise to a −78° C. solution of 2,6-dichloro-5-fluoronicotinonitrile (10.0 g, 52.3 mmol) and iodine (26.5 g, 104 mmol) in THF (175 ml). Upon completion of the addition, the reaction was allowed to warm slowly to room temperature, and stirred at room temperature for 12 hours. An aqueous 10% Na2S2O3 solution (500 ml) was added and the reaction was extracted with EtOAc (3×300 ml). The combined organic fractions were dried over Na2SO4, filtered, and then concentrated to give the title compound (14.5 g, 87%) as a brown solid that was used without further purification.

後処理

  1. additionUpon completion of the addition
  2. temperatureto warm slowly to room temperature
  3. stirringstirred at room temperature for 12 hours
  4. extractionthe reaction was extracted with EtOAc (3×300 ml)
  5. dry with materialThe combined organic fractions were dried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated

出典と根拠

ORDレコード
ord-808231e5a3284e5489291033d5ce8883
出典データセット
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08835465B2

反応ノート

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