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Nitroethane → 4-Fluoro-1-methyl-2-(2-nitroprop-1-enyl)benzene

HRID 920457
ノート
印刷プレビュー

反応式

HRID 920457 の反応式
[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:10])=[C:6]([CH:9]=1)[CH:7]=O.[N+:11]([CH2:14][CH3:15])([O-:13])=[O:12].C1(N)CCCCC1>C(O)(=O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:10])=[C:6]([CH:7]=[C:14]([N+:11]([O-:13])=[O:12])[CH3:15])[CH:9]=1
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 6587NitroethaneHCID 7965CyclohexylamineHCID 27590125-Fluoro-2-methylbenzaldehyde

生成物 1

HCID 666905114-Fluoro-1-methyl-2-(2-nitroprop-1-enyl)benzene収率 89%

試薬・触媒・溶媒 1

HCID 176Acetic Acid溶媒

反応条件

温度
80 °C

実験手順

A mixture of 5-fluoro-2-methylbenzaldehyde (50.0 g, 0.382 mol), nitroethane (54.34 g, 0.724 mol), and cyclohexylamine (35.90 g, 0.382 mol) in 300 mL of acetic acid was heated at 80° C. for 5-6 h under an argon atmosphere. After the end of the reaction was established by TLC, the reaction mixture was cooled to rt and the solvent was removed under vacuum. The residue was diluted with water, extracted with ethyl acetate three times. The combined extracts were dried over anhydrous MgSO4, filtered, and concentrated under vacuum. Product was purified by a silica gel chromatography using ethyl acetate and hexanes (1:6 to 1:4) as eluent to afford 62.8 g (89%) of the designed compound as yellow solid. Mass (ESI, positive) m/z 217.9 [M+Na]+.

後処理

  1. temperaturethe reaction mixture was cooled to rt
  2. customthe solvent was removed under vacuum
  3. additionThe residue was diluted with water
  4. extractionextracted with ethyl acetate three times
  5. dry with materialThe combined extracts were dried over anhydrous MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated under vacuum
  8. customProduct was purified by a silica gel chromatography

出典と根拠

ORDレコード
ord-143de7766ba14dd3a06dd241d6937388
出典データセット
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09273055B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート