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

Acetic Acid → Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate

HRID 408032
노트
인쇄 미리보기

반응식

HRID 408032 반응식
C([C:3](=[C:9]([O:15][CH2:16][CH3:17])/[CH:10]=[CH:11]/[N:12](C)[CH3:13])[C:4]([O:6][CH2:7][CH3:8])=[O:5])#N.C(O)(=[O:20])C>>[CH2:16]([O:15][C:9]1[CH:10]=[CH:11][NH:12][C:13](=[O:20])[C:3]=1[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH3:17]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 176Acetic AcidHCID 86659920(4E)-Ethyl 2-cyano-5-(dimethylamino)-3-ethoxypenta-2,4-dienoate

생성물 1

HCID 53393185Ethyl 4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate수율 58.5%

반응 조건

온도
100 °C

실험 절차

(4E)-Ethyl 2-cyano-5-(dimethylamino)-3-ethoxypenta-2,4-dienoate (20 kg) and acetic acid (126 L) were charged to a reactor and heated to 100° C. for 3 hrs until the reaction was complete as characterized by HPLC. The reaction mass was cooled to 55° C. and acetic acid was removed by vacuum distillation at 65-75° C. After distillation, the mixture was cooled to room temperature and water (3 L) was added. The pH of the mixture was adjusted to 8 by addition of 100 L of a 30% sodium carbonate solution. The solids were filtered off and washed with 10 L of water. The combined aqueous layers were extracted three times with DCM (100 L). The combined DCM layers were washed with brine, then dried over sodium sulfate and concentrated to dryness. Ethyl acetate was added to the concentrate. The mixture was heated to 40° C. and then cooled to 25° C. The solids were filtered off, washed with petroleum ether and dried at room temperature for 12 hrs to yield ethyl 4-ethoxy-2-oxo-1,2-dihydropyridine-3-carboxylate (10.3 kg; 58.5% yield).

후처리

  1. temperatureThe reaction mass was cooled to 55° C.
  2. customacetic acid was removed by vacuum distillation at 65-75° C
  3. distillationAfter distillation
  4. temperaturethe mixture was cooled to room temperature
  5. additionwater (3 L) was added
  6. additionThe pH of the mixture was adjusted to 8 by addition of 100 L of a 30% sodium carbonate solution
  7. filtrationThe solids were filtered off
  8. washwashed with 10 L of water
  9. extractionThe combined aqueous layers were extracted three times with DCM (100 L)
  10. washThe combined DCM layers were washed with brine
  11. dry with materialdried over sodium sulfate
  12. concentrationconcentrated to dryness
  13. additionEthyl acetate was added to the concentrate
  14. temperatureThe mixture was heated to 40° C.
  15. temperaturecooled to 25° C
  16. filtrationThe solids were filtered off
  17. washwashed with petroleum ether
  18. customdried at room temperature for 12 hrs

출처 및 근거

ORD 기록
ord-b77c827c460048d7a72a05796a95f660
출처 데이터셋
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08754230B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트