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Beta-Alanine → (E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-(4-(2-(diethylamino)ethoxy)phenyl)butyl)acrylamide

HRID 2406583
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인쇄 미리보기

반응식

HRID 2406583 반응식
[C:1]([CH2:3][C:4]([NH:6][CH:7]([C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH3:22])=[CH:13][CH:12]=1)[CH2:8][CH2:9][CH3:10])=[O:5])#[N:2].NCCC(O)=O.O.[Br:32][C:33]1[N:38]=[C:37]([CH:39]=O)[CH:36]=[CH:35][CH:34]=1>C(O)C.C(OCC)(=O)C>[Br:32][C:33]1[N:38]=[C:37](/[CH:39]=[C:3](\[C:1]#[N:2])/[C:4]([NH:6][CH:7]([C:11]2[CH:12]=[CH:13][C:14]([O:17][CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH3:22])=[CH:15][CH:16]=2)[CH2:8][CH2:9][CH3:10])=[O:5])[CH:36]=[CH:35][CH:34]=1
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참가 물질

7

반응물 4

HCID 239Beta-AlanineHCID 962WaterHCID 27570096-Bromopyridine-2-carbaldehydeHCID 668220192-Cyano-N-(1-(4-(2-(diethylamino)ethoxy)phenyl)butyl)acetamide

생성물 1

HCID 56947930(E)-3-(6-Bromopyridin-2-yl)-2-cyano-N-(1-(4-(2-(diethylamino)ethoxy)phenyl)butyl)acrylamide수율 80.1%

시약·촉매·용매 2

HCID 702
Ethanol
용매
HCID 8857Ethyl Acetate용매

실험 절차

To the solution of 2-cyano-N-(1-(4-(2-(diethylamino)ethoxy)phenyl)butyl)acetamide (29; 116 mg, 0.35 mmol) in ethanol (2 mL) was added β-alanine (499 mg, 5.6 mmol) and water (2 mL). 6-Bromopicolinaldehyde (260 mg, 1.4 mmol) was added, and the resulting mixture was then stirred at room temperature for 18 hours. The reaction mixture was diluted with ethyl acetate, washed with sat. aqueous NaHCO3 (2×) and sat. brine, dried over sodium sulfate, and concentrated to a crude solid. Purification by flash silica gel column chromatography, eluting with 5:95 methanol/dichloromethane, afforded 33 (140 mg, 80%) as a thick yellow oil: MS (ES+) m/z=499.1 (M+H)+.

후처리

  1. washwashed with sat. aqueous NaHCO3 (2×) and sat. brine
  2. dry with materialdried over sodium sulfate
  3. concentrationconcentrated to a crude solid
  4. customPurification by flash silica gel column chromatography
  5. washeluting with 5:95 methanol/dichloromethane

출처 및 근거

ORD 기록
ord-81ba66e22f584c509a1c77c924ba0410
출처 데이터셋
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08809377B2

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