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Diisopropylamine → 3-(4-Isopropoxy-2-(trifluoromethyl)phenyl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole

HRID 1506348
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HRID 1506348 반응식
C([Li])CCC.C(NC(C)C)(C)C.[Li+].CC([N-]C(C)C)C.[CH:21]([C:23]1[CH:24]=[C:25]2[C:30](=[CH:31][CH:32]=1)/[C:29](=[N:33]/[OH:34])/[CH2:28][CH2:27][CH2:26]2)=[CH2:22].[CH:35]([O:38][C:39]1[CH:50]=[CH:49][C:42]([C:43](OC(C)C)=O)=[C:41]([C:51]([F:54])([F:53])[F:52])[CH:40]=1)([CH3:37])[CH3:36].O.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1COCC1.C1(C)C=CC=CC=1>[CH:35]([O:38][C:39]1[CH:50]=[CH:49][C:42]([C:43]2[O:34][N:33]=[C:29]3[C:30]4[C:25]([CH2:26][CH2:27][C:28]=23)=[CH:24][C:23]([CH:21]=[CH2:22])=[CH:32][CH:31]=4)=[C:41]([C:51]([F:52])([F:53])[F:54])[CH:40]=1)([CH3:37])[CH3:36]
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참가 물질

9

반응물 6

HCID 7912DiisopropylamineHCID 521998p-Toluenesulfonic acid monohydrateHCID 2724682Lithium diisopropylamideHCID 67167874Isopropyl 4-isopropoxy-2-(trifluoromethyl)benzoateHCID 121012766(NE)-N-(6-ethenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine2회HCID 178418339Butyllithium

생성물 1

HCID 671709643-(4-Isopropoxy-2-(trifluoromethyl)phenyl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole수율 48.1%

시약·촉매·용매 2

HCID 1140Toluene용매HCID 8028Tetrahydrofuran용매3회

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온도
0 °C

실험 절차

To a heat gun dried 50 mL 2-necked flask was added butyllithium (1.406 mL, 3.51 mmol) followed by 2 mL of anhydrous THF under a nitrogen atmosphere. The flask was cooled to 0° C. and diisopropylamine (0.49 mL, 3.51 mmol) was added dropwise over a period of 1 min. The contents were stirred at 0° C. for 15 min. To the LDA solution, 6-vinyl-3,4-dihydronaphthalen-1(2H)-one oxime (Intermediate 1, 0.219 g, 1.171 mmol) dissolved in 1 mL of THF was added dropwise over a period of 1 min. at 0° C. The orange-red solution was stirred at 0° C. for 25 min. Isopropyl 4-isopropoxy-2-(trifluoromethyl)benzoate (Preparation 17A, 0.340 g, 1.171 mmol) dissolved in 1 mL of THF was added dropwise over a period of 1 min. at 0° C. and the contents were stirred at 0° C. for 10 min. The reaction mixture was partitioned between 1N hydrochloric acid (5 mL) and ethyl acetate (10 mL)-THF. The 1N hydrochloric acid layer was back extracted with ethyl acetate (10 mL). The combined ethyl acetate layers were dried over sodium sulfate and concentrated under reduced pressure to yield a dark oil. To this oil was added toluene (5.00 mL). The contents were sonicated for 2 min. and p-toluenesulfonic acid monohydrate (0.446 g, 2.343 mmol) was added at room temperature. The contents were heated at 110° C. for 25 min. The reaction mixture was concentrated and partitioned between dichloromethane (15 mL) and saturated aqueous sodium bicarbonate (10 mL). The dichloromethane layer was dried over sodium sulfate, concentrated, and subjected to silica gel column chromatography (hexane/ethyl acetate). Fractions corresponding to the product were collected and concentrated to yield 3-(4-isopropoxy-2-(trifluoromethyl)phenyl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole (0.225 g, 0.563 mmol, 48% yield) as an oil. LC/MS M+1=400.1.

후처리

  1. customTo a heat gun dried 50 mL 2-necked flask
  2. additionwas added dropwise over a period of 1 min. at 0° C
  3. stirringThe orange-red solution was stirred at 0° C. for 25 min
  4. additionwas added dropwise over a period of 1 min. at 0° C.
  5. stirringthe contents were stirred at 0° C. for 10 min
  6. customThe reaction mixture was partitioned between 1N hydrochloric acid (5 mL) and ethyl acetate (10 mL)-THF
  7. extractionThe 1N hydrochloric acid layer was back extracted with ethyl acetate (10 mL)
  8. dry with materialThe combined ethyl acetate layers were dried over sodium sulfate
  9. concentrationconcentrated under reduced pressure
  10. customto yield a dark oil
  11. customThe contents were sonicated for 2 min.
  12. temperatureThe contents were heated at 110° C. for 25 min
  13. concentrationThe reaction mixture was concentrated
  14. custompartitioned between dichloromethane (15 mL) and saturated aqueous sodium bicarbonate (10 mL)
  15. dry with materialThe dichloromethane layer was dried over sodium sulfate
  16. concentrationconcentrated
  17. customFractions corresponding to the product were collected
  18. concentrationconcentrated

출처 및 근거

ORD 기록
ord-e4585097966147e4b40ee5c4a7c1c89e
출처 데이터셋
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09216972B2

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