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Benzaldehyde → 3-(3,4-Difluoro-phenyl)-5-([E]-styryl)-isoxazole-4-carboxylic acid

HRID 1514704
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HRID 1514704 반응식
C([O:3][C:4]([C:6]1[C:7]([C:12]2[CH:17]=[CH:16][C:15]([F:18])=[C:14]([F:19])[CH:13]=2)=[N:8][O:9][C:10]=1[CH3:11])=[O:5])C.[CH:20](=O)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[O-]CC.[Na+].Cl>C(O)C>[F:19][C:14]1[CH:13]=[C:12]([C:7]2[C:6]([C:4]([OH:3])=[O:5])=[C:10](/[CH:11]=[CH:20]/[C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[O:9][N:8]=2)[CH:17]=[CH:16][C:15]=1[F:18]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 240BenzaldehydeHCID 313Hydrochloric AcidHCID 2723922Sodium ethoxideHCID 57466747Ethyl 3-(3,4-difluorophenyl)-5-methylisoxazole-4-carboxylate

생성물 1

HCID 667181913-(3,4-Difluoro-phenyl)-5-([E]-styryl)-isoxazole-4-carboxylic acid수율 87.4%

시약·촉매·용매 1

HCID 702
Ethanol
용매

실험 절차

To a stirred solution of 3-(3,4-difluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid ethyl ester (50 g, 187 mmol) and benzaldehyde (19.1 mL, 187 mmol) in ethanol (280 mL) was added sodium ethoxide (2.71 M, 75.8 mL, 206 mmol) and the reaction was stirred at reflux for 1 h. Hydrochloric acid (1 N, 225 mL) was added and the resulting mixture was then triturated with dichloromethane and filtered to afford the title compound (53.5 g, 87%) as a light yellow solid. MS: m/e=328.3 [M+H]+.

후처리

  1. temperatureat reflux for 1 h
  2. customthe resulting mixture was then triturated with dichloromethane
  3. filtrationfiltered

출처 및 근거

ORD 기록
ord-e5ff938855c14e49b1d35c8c6c9a3108
출처 데이터셋
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08222246B2

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