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

Hydrochloric Acid → (2R)-4-{5-Fluoro-4-[4-(methylthio)phenyl]-2-oxopyridin-1(2H)-yl}-2-methyl-2-(methylsulfonyl)butanoic acid

HRID 1625023
노트
인쇄 미리보기

반응식

HRID 1625023 반응식
O.[OH-].[Li+].[F:4][C:5]1[C:6]([C:25]2[CH:30]=[CH:29][C:28]([S:31][CH3:32])=[CH:27][CH:26]=2)=[CH:7][C:8](=[O:24])[N:9]([CH2:11][CH2:12][C@@:13]([CH3:23])([S:19]([CH3:22])(=[O:21])=[O:20])[C:14]([O:16]CC)=[O:15])[CH:10]=1.Cl>C1COCC1.O>[F:4][C:5]1[C:6]([C:25]2[CH:26]=[CH:27][C:28]([S:31][CH3:32])=[CH:29][CH:30]=2)=[CH:7][C:8](=[O:24])[N:9]([CH2:11][CH2:12][C@@:13]([CH3:23])([S:19]([CH3:22])(=[O:21])=[O:20])[C:14]([OH:16])=[O:15])[CH:10]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 168937Lithium hydroxide, monohydrateHCID 86670638Ethyl (2R)-4-{5-fluoro-4-[4-(methylthio)phenyl]-2-oxopyridin-1(2H)-yl}-2-methyl-2-(methylsulfonyl)butanoate

생성물 1

HCID 70664819(2R)-4-{5-Fluoro-4-[4-(methylthio)phenyl]-2-oxopyridin-1(2H)-yl}-2-methyl-2-(methylsulfonyl)butanoic acid수율 73.2%

시약·촉매·용매 1

HCID 21881883
Oxolane--water (1/1)
용매

실험 절차

Lithium hydroxide monohydrate (165 mg, 6.68 mmol) was added to a solution of ethyl (2R)-4-{5-fluoro-4-[4-(methylthio)phenyl]-2-oxopyridin-1(2H)-yl}-2-methyl-2-(methylsulfonyl)butanoate (0.492 g, 1.12 mmol) in THF:water (1:1, 14 mL) and the reaction was allowed to stir at rt for 18 h. The reaction mixture was acidified using 4 M aq HCl to afford a precipitate. The solid was collected via filtration and dried under vacuum to afford the title compound as a solid (339 mg, 73%). MS (LCMS) m/z 414.1 (M+1). 1H NMR (400 MHz, DMSO-d6)δ ppm 1.54 (s, 3 H) 2.17 (ddd, J=13.42, 10.00, 5.07 Hz, 1 H) 2.41-2.45 (m, 1 H) 2.49 (s, 3 H), 3.14 (s, 3 H) 3.78-4.15 (m, 2 H) 6.46 (d, J=7.81 Hz, 1 H) 7.28-7.39 (m, 2 H) 7.43-7.55 (m, 2 H) 8.01 (d, J=6.83 Hz, 1 H).

후처리

  1. customto afford a precipitate
  2. filtrationThe solid was collected via filtration
  3. customdried under vacuum

출처 및 근거

ORD 기록
ord-45e1d452a90648aa87faaba84c2eef3e
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08779148B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트