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2-(4-Chlorophenethoxy)-3-methoxypyrazine → 3-(4-chlorophenethoxy)pyrazin-2(1H)-one

HRID 562591
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HRID 562591 반응식
S1C2C=CC=CC=2N=C1S.[Cl:11][C:12]1[CH:28]=[CH:27][C:15]([CH2:16][CH2:17][O:18][C:19]2[C:24]([O:25]C)=[N:23][CH:22]=[CH:21][N:20]=2)=[CH:14][CH:13]=1>CC(N(C)C)=O.C([O-])(O)=O.[Na+]>[Cl:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:16][CH2:17][O:18][C:19]2[C:24](=[O:25])[NH:23][CH:22]=[CH:21][N:20]=2)=[CH:27][CH:28]=1
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참가 물질

5

반응물 2

HCID 575406932-(4-Chlorophenethoxy)-3-methoxypyrazineHCID 178418395HCID 178418395, 화합물

생성물 1

HCID 580924053-(4-chlorophenethoxy)pyrazin-2(1H)-one수율 47.9%

시약·촉매·용매 2

HCID 31374Dimethylacetamide용매HCID 516892Sodium Bicarbonate용매2회

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온도
135 °C

실험 절차

A mixture of benzo[d]thiazole-2-thiol (1.264 g, 7.56 mmol), 2-(4-chlorophenethoxy)-3-methoxypyrazine (1.00 g, 3.78 mmol) and NaHCO3 (1.587 g, 18.89 mmol) in DMA (10 mL) was stirred at 135° C. for 6 hours. After cooling to RT, the mixture was diluted with a solution of saturated NaHCO3 (55 ml) and was then extracted with EtOAc (60 ml). The EtOAc layer was dried over Na2SO4 and concentrated. The crude product was purified by silica gel chromatography employing a solvent gradient (hexane to 100% EtOAc) to elute 3-(4-chlorophenethoxy)pyrazin-2(1H)-one (477 mg, 1.808 mmol, 47.9% yield) as off-white solid. 1H NMR (400 MHz, chloroform-d) δ ppm 7.27-7.31 (2H, m), 7.19-7.25 (2H, m), 6.95 (1H, d, J=4.27 Hz), 6.89 (1H, d, J=4.52 Hz), 4.54 (2H, t, J=7.53 Hz), 3.14 (2H, t, J=7.40 Hz).

후처리

  1. temperatureAfter cooling to RT
  2. extractionwas then extracted with EtOAc (60 ml)
  3. dry with materialThe EtOAc layer was dried over Na2SO4
  4. concentrationconcentrated
  5. customThe crude product was purified by silica gel chromatography

출처 및 근거

ORD 기록
ord-12b87ac844304e1680c96005c7388a15
출처 데이터셋
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08067420B2

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