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Methyl iodide → 6-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one

HRID 524102
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HRID 524102 반응식
[CH3:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[S:8])[NH:6][N:7]=1.[OH-].[Na+].[CH3:12]I>C(O)C>[CH3:1][C:2]1[C:3](=[O:9])[NH:4][C:5]([S:8][CH3:12])=[N:6][N:7]=1
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참가 물질

5

반응물 3

HCID 6328Methyl iodideHCID 14798Sodium HydroxideHCID 12636666-Aza-2-thiothymine

생성물 1

HCID 1354189976-Methyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one수율 47.9%

시약·촉매·용매 1

HCID 702Ethanol용매

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온도
40 °C

실험 절차

To a solution of 6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one (4, 5.80 g, 40.6 mmol) in absolute ethanol (250 mL) was added NaOH (1.96 g, 49.1 mmol) followed by MeI (11.5 g, 81.2 mmol). The mixture was heated at 40° C. for 15 h. Most of the solvent was evaporated under reduced pressure. Water was added to the residue. The precipitated white solid was collected by filtration and washed with ethanol to give 5 (3.06 g). The aqueous phase was extracted with CH2Cl2 (80 mL×4). The combined extracts were dried over Na2SO4 and concentrated to give 3.34 g crude product. This was purified by column chromatography on silica gel, and eluted with 1:1 to 1:2 petroleum ether-ethyl acetate to provide 6-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one (5). MS: m/z, 158 (100%, M+1).

후처리

  1. customMost of the solvent was evaporated under reduced pressure
  2. additionWater was added to the residue
  3. filtrationThe precipitated white solid was collected by filtration
  4. washwashed with ethanol

출처 및 근거

ORD 기록
ord-0ba28f1703bb427aa6a2b0d51e72aa40
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09340523B2

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