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Carbon Dioxide → 2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid

HRID 19803
ノート
印刷プレビュー

反応式

HRID 19803 の反応式
[Cl:1][C:2]1[CH:7]=[C:6](I)[CH:5]=[C:4]([C:9]([F:12])([F:11])[F:10])[N:3]=1.[Li]CCCC.[C:18](=[O:20])=[O:19]>C1COCC1>[Cl:1][C:2]1[CH:7]=[C:6]([CH:5]=[C:4]([C:9]([F:12])([F:11])[F:10])[N:3]=1)[C:18]([OH:20])=[O:19]
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

5

反応物 3

HCID 280Carbon DioxideHCID 108597852-Chloro-4-iodo-6-(trifluoromethyl)pyridineHCID 178418339Butyllithium

生成物 1

HCID 112183892-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
-75 °C

実験手順

To a stirred solution of 1.1 g of 2-chloro-4-iodo-6-trifluoromethyl-pyridine (3.58 mmol) in 15 ml THF under argon at −75° C., were added 2.2 ml of n-BuLi (1.6 M in hexane) within 15 min (temperature kept between −72° C. and −75° C.). After 5 additional min stirring at −75° C., the reaction mixture was poured on an excess of freshly crushed dry ice and stirred until RT was reached. The reaction mixture was then concentrated in vacuo, the remaining residue treated with 2M aqueous HCl and the resulting mixture was extrated with diethylether. The combined organic phases were washed with water, and then extracted with saturated NaHCO3 solution. The aqueous phase was then acidified with concentrated HCl, extracted twice with diethylether and the combined organic phases were washed with brine, dried over magnesium sulfate, filtered and concentrated in vacuo. The remaining residue was recrystalized from 12 ml hot n-hexane, leading to 0.459 g (56%) of 2-chloro-6-trifluoromethyl-isonicotinic acid as an off-white solid. MS: 224.0 (M−H)−.

後処理

  1. stirringstirred until RT
  2. concentrationThe reaction mixture was then concentrated in vacuo
  3. additionthe remaining residue treated with 2M aqueous HCl
  4. washThe combined organic phases were washed with water
  5. extractionextracted with saturated NaHCO3 solution
  6. extractionextracted twice with diethylether
  7. washthe combined organic phases were washed with brine
  8. dry with materialdried over magnesium sulfate
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo
  11. customThe remaining residue was recrystalized from 12 ml hot n-hexane

出典と根拠

ORDレコード
ord-608d7cbc072242ad8eab9c2fa3c2055a
出典データセット
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07745477B2

反応ノート

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