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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0

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Methyl iodide → 3-(5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran-8-yl)-1-methyl-6-trifluoromethyluracil

HRID 440691

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HRID 440691 반응식

[Cl:1][C:2]1[C:7]2[CH2:8][CH2:9][CH2:10][O:11][C:6]=2[C:5]([N:12]2[C:17](=[O:18])[CH:16]=[C:15]([C:19]([F:22])([F:21])[F:20])[NH:14][C:13]2=[O:23])=[C:4]([F:24])[CH:3]=1.[C:25](=O)([O-])[O-].[K+].[K+].CI.C(OCC)(=O)C>CN(C)C=O.CCCCCC>[Cl:1][C:2]1[C:7]2[CH2:8][CH2:9][CH2:10][O:11][C:6]=2[C:5]([N:12]2[C:17](=[O:18])[CH:16]=[C:15]([C:19]([F:22])([F:20])[F:21])[N:14]([CH3:25])[C:13]2=[O:23])=[C:4]([F:24])[CH:3]=1

참가 물질 실험 절차 후처리 출처 및 근거 반응 노트

참가 물질

7

반응물 4

HCID 6328Methyl iodide

HCID 8857Ethyl Acetate

HCID 11430Potassium Carbonate

HCID 224048003-(5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran-8-yl)-6-trifluoromethyluracil

생성물 1

HCID 224047533-(5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran-8-yl)-1-methyl-6-trifluoromethyluracil수율 92.4%

시약·촉매·용매 2

HCID 6228

Dimethylformamide

용매

HCID 8058Hexane용매

실험 절차

By a method analogous to that of Example 1, Step G, 2.9 grams (0.008 mole) of 3-(5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran-8-yl)-6-trifluoromethyluracil was reacted with 2.2 grams (0.016 mole) of potassium carbonate and 1.7 grams (0.012 mole) of methyl iodide in 50 mL of N,N-dimethylformamide. The crude reaction product was subjected to column chromatography on silica gel, with 1:9 to 1:4 ethyl acetate:hexane as eluants. The product-containing fractions were combined and concentrated under reduced pressure, yielding 2.8 grams of 3-(5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran-8-yl)-1-methyl-6-trifluoromethyluracil, mp 141°-145° C. The NMR spectrum was consistent with the proposed structure.

후처리

customThe crude reaction product
concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록: ord-1aebac339804434897813074cb824fc4
출처 데이터셋: uspto-grants-1996_05
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US05521147

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