홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Sodium ethoxide → ethyl 2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate

HRID 907960
노트
인쇄 미리보기

반응식

HRID 907960 반응식
[F:1][C:2]1[CH:19]=[CH:18][C:5]([CH:6]=[N:7][C:8]2[CH:16]=[CH:15][CH:14]=[C:13]3[C:9]=2[CH2:10][O:11][C:12]3=[O:17])=[CH:4][CH:3]=1.[CH3:20][N:21]1[C:25]([CH:26]=O)=[N:24][CH:23]=[N:22]1.[O-:28][CH2:29][CH3:30].[Na+]>C(OCC)(=O)CC>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH:6]2[CH:26]([C:25]3[N:21]([CH3:20])[N:22]=[CH:23][N:24]=3)[C:29](=[O:28])[C:30]3[C:13]([C:12]([O:11][CH2:10][CH3:9])=[O:17])=[CH:14][CH:15]=[CH:16][C:8]=3[NH:7]2)=[CH:18][CH:19]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 2723922Sodium ethoxideHCID 136242781-methyl-1H-1,2,4-triazole-5-carbaldehydeHCID 67260628(E)-4-(4-fluorobenzylideneamino)isobenzofuran-1(3H)-one

생성물 1

HCID 67260599ethyl 2-(4-fluorophenyl)-3-(1-methyl-1H-1,2,4-triazol-5-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate수율 31%

시약·촉매·용매 1

HCID 7749Ethyl Propionate
용매

반응 조건

온도
55 °C

실험 절차

To a solution of 4-(4-fluorobenzylideneamino) isobenzofuran-1(3H)-one (5.0 g, 19.6 mmol) and 1-methyl-1H-1,2,4-triazole-5-carbaldehyde (2.8 g, 25.5 mmol) in ethyl propionate (310 mL) was added sodium ethoxide (1.26 g, 54.9 mmol) at room temperature under nitrogen. The mixture was stirred at 55° C. for 2 hr. Then the resulting mixture was evaporated under reduced pressure and extracted with ethyl acetate (150 mL×4) and concentrated the extracts. The crude product was purified by column chromatography (silica gel, petroleum ether:ethyl acetate=20:1 to 1.5:1). A solid product was obtained (2.4 g, yield 31%). LC-MS (ESI) m/z: 395 (M+1)+.

후처리

  1. customThen the resulting mixture was evaporated under reduced pressure
  2. extractionextracted with ethyl acetate (150 mL×4)
  3. concentrationconcentrated the extracts
  4. customThe crude product was purified by column chromatography (silica gel, petroleum ether:ethyl acetate=20:1 to 1.5:1)
  5. customA solid product was obtained (2.4 g, yield 31%)

출처 및 근거

ORD 기록
ord-90d780c028a24a739504357a97705c90
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08012976B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트