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Acetonitrile → 3-(3,5-Bis-benzyloxy-phenyl)-3-oxo-propionitrile

HRID 892045
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HRID 892045 반응식
[C:1](#[N:3])[CH3:2].C([Li])CCC.C(OC(=O)C[C:14]1[CH:19]=[C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:17]=[C:16]([O:28][CH2:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:15]=1)C.C1C[O:40][CH2:39]C1>C(OCC)(=O)C>[CH2:29]([O:28][C:16]1[CH:15]=[C:14]([C:39](=[O:40])[CH2:2][C:1]#[N:3])[CH:19]=[C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:17]=1)[C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1
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참가 물질

6

반응물 4

HCID 6342AcetonitrileHCID 8028Tetrahydrofuran2회HCID 563149Ethyl 3,5-dibenzyloxyphenylacetateHCID 178418339Butyllithium

생성물 1

HCID 222416923-(3,5-Bis-benzyloxy-phenyl)-3-oxo-propionitrile수율 67%

시약·촉매·용매 1

HCID 8857
Ethyl Acetate
용매

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온도
-78 °C

실험 절차

Under Ar(g), a solution of anhydrous acetonitrile (0.83 mL) in 25 mL anhydrous THF is cooled to −78° C. in a dry ice-acetone bath and then treated in dropwise fashion with 6.32 mL of a 2.5 M n-butyl lithium in hexanes. The reaction mixture is maintained at −78° C. for an additional 1 h and subsequently treated in dropwise fashion with a solution of 5 gms. of (3,5-bis-benzyloxy-phenyl)-acetic acid ethyl ester in 25 mL of anhydrous THF. The resulting solution is then stirred overnight at room temperature. Subsequently, the reaction mixture is diluted with ethyl acetate and then extracted with 10% NaOH(aq). The aqueous layer is acidified (pH 6–7) with a 1 M HCl(aq) solution affording a white precipitate. The precipitate is filtered and washed with water. The filtrate was then extracted ethyl acetate. The organic layer is concentrated in vacuo. The organic extraction yielded very little of the 3-(3,5-bis-benzyloxy-phenyl)-3-oxo-propionitrile, however, the precipitate isolated from the acidification of the original aqueous layer is indeed the desired 3-(3,5-bis-benzyloxy-phenyl)-3-oxo-propionitrile. Upon drying the precipitate in vacuo the desired 3-(3,5-bis-benzyloxy-phenyl)-3-oxo-propionitrile is isolated as a brownish white solid in the amount of 3.43 gms. (67% yield).

후처리

  1. additionsubsequently treated in dropwise fashion with a solution of 5 gms
  2. extractionextracted with 10% NaOH(aq)
  3. customaffording a white precipitate
  4. filtrationThe precipitate is filtered
  5. washwashed with water
  6. concentrationThe organic layer is concentrated in vacuo
  7. extractionThe organic extraction

출처 및 근거

ORD 기록
ord-65c9f4bc2b88407089963b0fd75612b0
출처 데이터셋
uspto-grants-2006_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07005444B2

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