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Chlorotrimethylsilane → 3-(3-Phenyl-4-(trifluoromethyl)isoxazol-5-yl)-7-vinyl-3,3a,4,5-tetrahydronaphtho[1,2-c]isoxazol-3-ol

HRID 1506327
ノート
印刷プレビュー

反応式

HRID 1506327 の反応式
[CH:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[C:9](=[N:13][OH:14])[CH2:8][CH2:7][CH2:6]2)=[CH2:2].C(N(C(C)C)CC)(C)C.[Si](Cl)(C)(C)C.[Li]N1C(C)(C)CCCC1(C)C.[C:40]1([C:46]2[C:50]([C:51]([F:54])([F:53])[F:52])=[C:49]([C:55](OC)=[O:56])[O:48][N:47]=2)[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1>C1COCC1>[C:40]1([C:46]2[C:50]([C:51]([F:54])([F:52])[F:53])=[C:49]([C:55]3([OH:56])[O:14][N:13]=[C:9]4[C:10]5[C:5]([CH2:6][CH2:7][CH:8]34)=[CH:4][C:3]([CH:1]=[CH2:2])=[CH:12][CH:11]=5)[O:48][N:47]=2)[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=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

7

反応物 5

HCID 6397ChlorotrimethylsilaneHCID 81531DiisopropylethylamineHCID 13508376Methyl 3-phenyl-4-(trifluoromethyl)isoxazole-5-carboxylateHCID 866698666-vinyl-3,4-dihydronaphthalen-1(2H)-one oximeHCID 178418821HCID 178418821、化合物

生成物 1

HCID 67170799
3-(3-Phenyl-4-(trifluoromethyl)isoxazol-5-yl)-7-vinyl-3,3a,4,5-tetrahydronaphtho[1,2-c]isoxazol-3-ol
収率 60%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
0 °C

実験手順

To a stirred solution of 6-vinyl-3,4-dihydronaphthalen-1(2H)-one oxime (I-1, 4.03 g, 21.50 mmol) and diisopropylethylamine (6.83 mL, 39.1 mmol) in anhydrous THF (50 mL) was added TMS-Cl (2.75 mL, 21.50 mmol) dropwise at 0° C. under nitrogen. The mixture was stirred at 0° C. for 30 min. The previously prepared LiTMP solution was added dropwise at −78° C. under nitrogen. After the mixture was stirred at the same temperature for 30 min, a solution of methyl 3-phenyl-4-(trifluoromethyl)isoxazole-5-carboxylate (I-3, 5.3 g, 19.54 mmol) in anhydrous THF (10 mL) was added dropwise at −78° C. The solution was stirred at −78° C. for 30 min and then warmed to 0° C. over 30 min. The reaction was quenched with saturated aqueous ammonium chloride solution (25 mL) and water (20 mL). The mixture was mixed with EtOAc (50 mL), stirred at room temperature for 30 min and filtered through a pad of celite. The filtrate was separated. The aqueous layer was extracted with EtOAc (2×25 mL). The combined organic solutions were washed with brine (50 mL), dried over sodium sulfate and concentrated to give a liquid. Flash chromatography purification (330 g silica gel column, 15-30% ethyl acetate in hexanes) afforded 3-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-7-vinyl-3,3a,4,5-tetrahydronaphtho[1,2-c]isoxazol-3-ol (5 g, 11.73 mmol, 60.0% yield) as a yellow solid. The compound had an HPLC retention time=3.74 min (condition C); LC/MS M+1=426.9.

後処理

  1. stirringAfter the mixture was stirred at the same temperature for 30 min
  2. stirringThe solution was stirred at −78° C. for 30 min
  3. temperaturewarmed to 0° C. over 30 min
  4. customThe reaction was quenched with saturated aqueous ammonium chloride solution (25 mL) and water (20 mL)
  5. additionThe mixture was mixed with EtOAc (50 mL)
  6. stirringstirred at room temperature for 30 min
  7. filtrationfiltered through a pad of celite
  8. customThe filtrate was separated
  9. extractionThe aqueous layer was extracted with EtOAc (2×25 mL)
  10. washThe combined organic solutions were washed with brine (50 mL)
  11. dry with materialdried over sodium sulfate
  12. concentrationconcentrated
  13. customto give a liquid
  14. customFlash chromatography purification (330 g silica gel column, 15-30% ethyl acetate in hexanes)

出典と根拠

ORDレコード
ord-91272f9665844f27bfed3dca3370b04e
出典データセット
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09216972B2

反応ノート

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