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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester → 1,2,4,7-Tetrahydro-5-methyl-7-(3-nitrophenyl)-2-oxopyrazolo[1,5-a]pyrimdine-6-carboxylic acid, 1-methylethyl ester

HRID 1252990
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HRID 1252990 반응식
[NH2:1][C:2]1[N:3]=[N:4][C:5](=[O:7])[CH:6]=1.[N+:8]([C:11]1[CH:12]=[C:13]([CH:17]=[C:18]([C:25](=O)[CH3:26])[C:19]([O:21][CH:22]([CH3:24])[CH3:23])=[O:20])[CH:14]=[CH:15][CH:16]=1)([O-:10])=[O:9]>CN(C)C=O.CCOCC>[CH3:26][C:25]1[NH:1][C:2]2[N:3]([NH:4][C:5](=[O:7])[CH:6]=2)[CH:17]([C:13]2[CH:14]=[CH:15][CH:16]=[C:11]([N+:8]([O-:10])=[O:9])[CH:12]=2)[C:18]=1[C:19]([O:21][CH:22]([CH3:23])[CH3:24])=[O:20]
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참가 물질

5

반응물 2

HCID 3951175Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl esterHCID 42555565-amino-3H-pyrazol-3-one

생성물 1

HCID 141304321,2,4,7-Tetrahydro-5-methyl-7-(3-nitrophenyl)-2-oxopyrazolo[1,5-a]pyrimdine-6-carboxylic acid, 1-methylethyl ester

시약·촉매·용매 2

HCID 3283Diethyl Ether용매HCID 6228Dimethylformamide용매

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온도
70 °C

실험 절차

A mixture of 3-amino-5-pyrazolone (3.57 g; 36.1 mmole) and 2-[(3-nitrophenyl)methylene]-3-oxobutanoic acid, 1-methylethyl ester (10.0 g; 36.1 mmole) in dry dimethylformamide (30 ml) was heated at 70° C. under argon for 24 hours. The reaction mixture was allowed to cool to room temperature and then diluted with ether. The resultant precipitate was filtered off and recrystallized from isopropanol to provide the title compound in crystalline form (4.23 g; melting point 254°-256° C.).

후처리

  1. temperatureto cool to room temperature
  2. filtrationThe resultant precipitate was filtered off
  3. customrecrystallized from isopropanol

출처 및 근거

ORD 기록
ord-40380c51587d4d338d8a63f849d3fef3
출처 데이터셋
uspto-grants-1988_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US04746656

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