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Water → {[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}methyl acetate

HRID 47654
ノート
印刷プレビュー

反応式

HRID 47654 の反応式
[C:1]([O:4][CH2:5][S:6][C:7]1[C:12]([F:13])=[CH:11][C:10]([C:14]2[C:15]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[N:16][O:17][C:18]=2[CH3:19])=[CH:9][C:8]=1[F:26])(=[O:3])[CH3:2].[OH2:27].[OH2:28].O.O.O.O.C(O[O-])(=O)C1C(=CC=CC=1)C([O-])=O.[Mg+2].O.[Cl-].[NH4+]>CO.ClCCl>[C:1]([O:4][CH2:5][S:6]([C:7]1[C:12]([F:13])=[CH:11][C:10]([C:14]2[C:15]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[N:16][O:17][C:18]=2[CH3:19])=[CH:9][C:8]=1[F:26])(=[O:28])=[O:27])(=[O:3])[CH3:2]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 962WaterHCID 25517Ammonium ChlorideHCID 21894687Magnesium 2-(dioxidan-2-ide-1-carbonyl)benzoate--water (1/1/6)3 回HCID 22746414{[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]thio}methyl acetate

生成物 1

HCID 22745761{[2,6-Difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}methyl acetate収率 54%

試薬・触媒・溶媒 2

HCID 887Methanol溶媒2 回HCID 6344Dichloromethane溶媒2 回

実験手順

To a solution of {[2,6-difluoro-4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]thio}methyl acetate in methanol (30 mL) and dichloromethane (70 mL) was added magnesium monoperoxyphthalate hexahydrate (8.6 g 80%, 14 mmol). The slurry was heated and held at reflux for 4 hours, then poured into water and extracted with dichloromethane (1×150 mL, 3×75 mL). The combined extracts were washed with dilute sodium chloride twice, dried with magnesium sulfate, and concentrated. The residue was dissolved in dichloromethane (40 mL) and methanol (20 mL), magnesium monoperoxyphthalate hexahydrate (4.5 g, 7.3 mmol) was added, and the mixture heated and held at reflux for 5 hours. Additional magnesium monoperoxyphthalate hexahydrate was added and the mixture heated and held at reflux for 18 hours. The reaction mixture was poured into dilute ammonium chloride and extracted with dichloromethane (1×200 mL, 2×50 mL). The combined extracts were washed twice with dilute ammonium chloride, dried with magnesium sulfate, and concentrated. Purification by silica gel chromatography using 30% ethyl acetate in hexanes gave white solids, which were dissolved in dichloromethane, washed with dilute sodium bicarbonate, dried with magnesium sulfate, and concentrated to provide {[2,6-difluoro-4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}methyl acetate as a white solid (1.4 g, 54%). Recrystallization from ethyl acetate/hexanes gave an analytical sample of the product, MP 164.6-165.6° C. 1H NMR (CDCl3/400 MHz) 7.35-7.46 (m, 5H), 6.82-6.86 (m, 2H), 5.33 (s, 2H), 2.54 (s, 3H) 2.12 (s, 3H). HRMS m/z 408.0725 (M+H+, calcd 408.0717). Anal. Calcd for C19H15F2NO5S: C, 56.02; H, 3.71; N, 3.44. Found: C, 56.07; H, 3.61; N, 3.58.

後処理

  1. temperatureThe slurry was heated
  2. temperatureat reflux for 4 hours
  3. extractionextracted with dichloromethane (1×150 mL, 3×75 mL)
  4. washThe combined extracts were washed with dilute sodium chloride twice
  5. dry with materialdried with magnesium sulfate
  6. concentrationconcentrated
  7. dissolutionThe residue was dissolved in dichloromethane (40 mL)
  8. temperaturethe mixture heated
  9. temperatureat reflux for 5 hours
  10. temperaturethe mixture heated
  11. temperatureat reflux for 18 hours
  12. extractionextracted with dichloromethane (1×200 mL, 2×50 mL)
  13. washThe combined extracts were washed twice with dilute ammonium chloride
  14. dry with materialdried with magnesium sulfate
  15. concentrationconcentrated
  16. customPurification by silica gel chromatography
  17. customgave white solids, which
  18. washwashed with dilute sodium bicarbonate
  19. dry with materialdried with magnesium sulfate
  20. concentrationconcentrated

出典と根拠

ORDレコード
ord-d2db0146e5654142ad2b8a3bd3a3f2d2
出典データセット
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06699884B2

反応ノート

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