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Potassium Carbonate → 2-(3-fluoro-4-chlorophenyl)-5,7-dihydroxy-6,8-di(3-methyl-2-buten-1-yl)-4H-benzopyran-4-one

HRID 1528038
ノート
印刷プレビュー

反応式

HRID 1528038 の反応式
[OH:1][C:2]1[C:7]([CH2:8][CH:9]=[C:10]([CH3:12])[CH3:11])=[C:6]([OH:13])[C:5]([CH2:14][CH:15]=[C:16]([CH3:18])[CH3:17])=[C:4]([OH:19])[C:3]=1[C:20](=[O:22])[CH3:21].C(=O)([O-])[O-].[K+].[K+].[F:29][C:30]1[CH:31]=[C:32]([CH:36]=[CH:37][C:38]=1[Cl:39])[C:33](Cl)=O>CCCC[N+](CCCC)(CCCC)CCCC.[Br-].C1(C)C=CC=CC=1>[F:29][C:30]1[CH:31]=[C:32]([C:33]2[O:1][C:2]3[C:7]([CH2:8][CH:9]=[C:10]([CH3:12])[CH3:11])=[C:6]([OH:13])[C:5]([CH2:14][CH:15]=[C:16]([CH3:17])[CH3:18])=[C:4]([OH:19])[C:3]=3[C:20](=[O:22])[CH:21]=2)[CH:36]=[CH:37][C:38]=1[Cl:39]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 11430Potassium CarbonateHCID 38662994-Chloro-3-fluorobenzoyl chlorideHCID 109796271-[2,4,6-Trihydroxy-3,5-di(3-methyl-2-buten-1-yl)phenyl]ethanone

生成物 1

HCID 867022162-(3-fluoro-4-chlorophenyl)-5,7-dihydroxy-6,8-di(3-methyl-2-buten-1-yl)-4H-benzopyran-4-one収率 3.5%

試薬・触媒・溶媒 2

HCID 74236
Tetrabutylammonium Bromide
触媒
HCID 1140Toluene溶媒

実験手順

Under nitrogen atmosphere, 1-[2,4,6-trihydroxy-3,5-di(3-methyl-2-buten-1-yl)phenyl]ethanone (300 mg, 0.986 mmol), anhydrous potassium carbonate powder (817 mg, 5.91 mmol), TBAB (tetrabutyl ammonium bromide, 477 mg, 1.47 mmol) and 3-fluoro-4-chlorobenzoyl chloride (380 mg, 1.97 mmol) were dissolved in toluene (30 mL), and refluxed for 6 hours. After cooling, toluene was removed, and then water (20 mL) was added. The aqueous solution was extracted with ethyl acetate. The combined organic phase was washed with water and saturated brine, and dried over anhydrous sodium sulfate. A brown residue was obtained after removal of solvent. The residue was dissolved in a 5% potassium carbonate aqueous solution and heated to reflux for 2 hr. After cooling to ambient temperature, the mixture was acidified to pH 6 with 1N HCl solution, and extracted with dichloromethane three times. The combined organic phase was dried over anhydrous sodium sulfate, and the solvent was removed. The crude product was purified by silica gel column chromatography (eluent:ethyl acetate/petroleum ether, 1:50) to give the desired compound (15 mg, yield 3.5%). 1H NMR (400 MHz, CDCl3): δ=12.90 (s, 1H), 7.67-7.55 (m, 3H), 6.62 (s, 1H), 6.43 (s, 1H), 5.27-5.24 (m, 2H), 3.54 (d, 2H, J=6.8 Hz), 3.47 (d, 2H, J=6.8 Hz), 1.85 (s, 3H), 1.81 (s, 3H), 1.78 (s, 3H), 1.76 (s, 3H); LC-MS (ESI) m/z 473.6 [M+H]+.

後処理

  1. temperaturerefluxed for 6 hours
  2. temperatureAfter cooling
  3. customtoluene was removed
  4. additionwater (20 mL) was added
  5. extractionThe aqueous solution was extracted with ethyl acetate
  6. washThe combined organic phase was washed with water and saturated brine
  7. dry with materialdried over anhydrous sodium sulfate
  8. customA brown residue was obtained
  9. customafter removal of solvent
  10. dissolutionThe residue was dissolved in a 5% potassium carbonate aqueous solution
  11. temperatureheated
  12. temperatureto reflux for 2 hr
  13. extractionextracted with dichloromethane three times
  14. dry with materialThe combined organic phase was dried over anhydrous sodium sulfate
  15. customthe solvent was removed
  16. customThe crude product was purified by silica gel column chromatography (eluent:ethyl acetate/petroleum ether, 1:50)

出典と根拠

ORDレコード
ord-959295f9c9db420a8d93a1fdbad250d0
出典データセット
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09090583B2

反応ノート

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