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Nitric Acid → 2-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one

HRID 400402
ノート
印刷プレビュー

反応式

HRID 400402 の反応式
S(=O)(=O)(O)O.[N+:6]([O-:9])(O)=[O:7].[CH:10]1[C:15]2[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20][C:14]=2[CH:13]=[CH:12][CH:11]=1>[N+](C)([O-])=O>[N+:6]([C:12]1[CH:11]=[CH:10][C:15]2[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20][C:14]=2[CH:13]=1)([O-:9])=[O:7]
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 944Nitric AcidHCID 1118Sulfuric AcidHCID 122344855,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-one

生成物 1

HCID 457903192-Nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one収率 40%

試薬・触媒・溶媒 1

HCID 6375Nitromethane溶媒

反応条件

温度
0 °C

実験手順

To a solution of cold (0° C.) concentrated sulfuric acid (15 mL) was added 70% nitric acid (15 mL) dropwise over 30 min. The addition was controlled to maintain the internal reaction temperature below 5° C. After the addition, the resulting solution was transferred into an addition funnel and was added dropwise to a solution of 8,9-dihydro-5H-benzo[7]annulen-7(6H)-one (14 g, 87.5 mmol) in nitromethane (80 mL) at 0° C. over a period of 40 min. After the addition, the reaction mixture was stirred at 0° C. for 2 h. Then ice water (˜80 mL) was added to the reaction mixture, and the mixture was stirred for additional 30 min. Then the mixture was transferred to a separatory funnel where the layers were separated. The aqueous layer was extracted with ethyl acetate (3×80 mL). The combined layers were washed with cold water, sat. NaHCO3 solution and brine. After being dried (MgSO4), filtered, and concentrated, the residue was purified by flash column chromatography on silica gel (hexanes/EtOAc=3:1 to 2:1) to afford the mixture of nitro regioisomers (˜15 g), which was then purified by recrystallization from MTBE (tert-butyl methyl ether, 180 mL) to yield 7.3 g of 2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one (40% yield) as a yellow solid: 1H NMR (300 MHz, CDCl3) δ: 8.10-8.06 (m, 2H), 7.40-7.37 (m, 1H), 3.04-3.00 (m, 4H), 2.67-2.65 (m, 4H); LC-MS: 206 (M+H)+.

後処理

  1. additionThe addition
  2. temperatureto maintain the internal reaction temperature below 5° C
  3. additionAfter the addition
  4. customthe resulting solution was transferred into an addition funnel
  5. additionAfter the addition
  6. stirringthe mixture was stirred for additional 30 min
  7. customThen the mixture was transferred to a separatory funnel
  8. customwhere the layers were separated
  9. extractionThe aqueous layer was extracted with ethyl acetate (3×80 mL)
  10. washThe combined layers were washed with cold water, sat. NaHCO3 solution and brine
  11. dry with materialAfter being dried (MgSO4)
  12. filtrationfiltered
  13. concentrationconcentrated
  14. customthe residue was purified by flash column chromatography on silica gel (hexanes/EtOAc=3:1 to 2:1)
  15. customto afford
  16. customwas then purified by recrystallization from MTBE (tert-butyl methyl ether, 180 mL)

出典と根拠

ORDレコード
ord-5fd4f66912564706982b4a65a6615958
出典データセット
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08741898B2

反応ノート

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