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

Nitric Acid → 2,4-Difluoro-5-nitrophenol

HRID 658452
노트
인쇄 미리보기

반응식

HRID 658452 반응식
[F:1][C:2]1[CH:13]=[C:12]([F:14])[CH:11]=[CH:10][C:3]=1[O:4]C(OCC)=O.[N+:15]([O-])([OH:17])=[O:16].C(=O)(O)[O-].[Na+]>OS(O)(=O)=O>[F:1][C:2]1[CH:13]=[C:12]([F:14])[C:11]([N+:15]([O-:17])=[O:16])=[CH:10][C:3]=1[OH:4]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 944Nitric AcidHCID 516892Sodium BicarbonateHCID 111381412,4-difluorophenyl ethyl carbonate

생성물 1

HCID 109210242,4-Difluoro-5-nitrophenol수율 83%

시약·촉매·용매 1

HCID 1118Sulfuric Acid용매

반응 조건

온도
15 °C

실험 절차

To a solution of ethyl 2,4-difluorophenoxycarboxylate (3.27 g, 16.2 mmol) in concentrated H2SO4 (11 mL) at 0° C. was added fuming HNO3 (1.1 mL) dropwise, maintaining the internal temperature between 10 to 20° C. After stirring for 1 h, the mixture was poured over ice water (100 mL) and extracted with EtOAc (3×50 mL). The combined organic layers were washed with brine (2×40 mL), dried over MgSO4, and concentrated in vacuo. The residue was dissolved in MeOH (50 mL), and sodium bicarbonate (2.72 g, 32.3 mmol) was added. The resultant mixture was stirred at room temperature for 64 h and the solid was filtered. The filtrate was concentrated and the residue was taken up in H2O (100 mL). The pH was adjusted to 5 with the addition of conc. HCl, and the mixture was extracted with EtOAc (3×50 mL). The combined organic layers were washed with brine (2×40 mL), dried over MgSO4, and evaporated under reduced pressure to give 2,4-difluoro-5-nitrophenol as a yellow solid (2.35 g, 13.4 mmol; 83% yield). 1H-NMR (DMSO-d6) δ 10.88 (s, 1H), 7.70 to 7.61 (m, 2H),

후처리

  1. extractionextracted with EtOAc (3×50 mL)
  2. washThe combined organic layers were washed with brine (2×40 mL)
  3. dry with materialdried over MgSO4
  4. concentrationconcentrated in vacuo
  5. dissolutionThe residue was dissolved in MeOH (50 mL)
  6. filtrationthe solid was filtered
  7. concentrationThe filtrate was concentrated
  8. additionThe pH was adjusted to 5 with the addition of conc. HCl
  9. extractionthe mixture was extracted with EtOAc (3×50 mL)
  10. washThe combined organic layers were washed with brine (2×40 mL)
  11. dry with materialdried over MgSO4
  12. customevaporated under reduced pressure

출처 및 근거

ORD 기록
ord-3e7fdce486ac42a89e328c37753e1226
출처 데이터셋
uspto-grants-2011_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08076488B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트