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

Sodium Chloride → 1-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone

HRID 1881555
노트
인쇄 미리보기

반응식

HRID 1881555 반응식
[CH3:1][NH:2][N:3]=[CH:4][C:5](=[O:7])[CH3:6].[C:8]([C:12]1[CH:17]=[CH:16][C:15]([C:18](=O)[CH:19]=[O:20])=[CH:14][CH:13]=1)([CH3:11])([CH3:10])[CH3:9].FC1C=C(C(NN)=O)C=CC=1C(OC)=O.[Cl-].[Na+]>C(O)(=O)C.O>[C:8]([C:12]1[CH:17]=[CH:16][C:15]([C:18]2[N:2]([CH3:1])[N:3]=[C:4]([C:5](=[O:7])[CH3:6])[C:19]=2[OH:20])=[CH:14][CH:13]=1)([CH3:11])([CH3:10])[CH3:9]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 5234Sodium ChlorideHCID 135124882-(4-(tert-Butyl)phenyl)-2-oxoacetaldehydeHCID 67050257Methyl 2-fluoro-4-hydrazinocarbonylbenzoateHCID 727702682-Oxopropanal methylhydrazone

생성물 1

HCID 670500841-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone수율 46%

시약·촉매·용매 2

HCID 176
Acetic Acid
용매
HCID 962Water용매

반응 조건

온도
100 °C

실험 절차

2-Oxopropanal methylhydrazone (46.375 mmol, 4.64 g) synthesized in Reference Synthetic Example 1 and (4-tert-butylphenyl)(oxo)acetaldehyde synthesized in Reference Synthetic Example 4 (46.375 mmol, 8.82 g) were dissolved in acetic acid (140 mL) and stirred at 100° C. for 2 hours. The reactor was cooled to room temperature, and after addition of water (100 mL) and saturated aqueous sodium chloride (50 mL), it was extracted with chloroform three times. The resulting organic layer was dried and filtered, and the solvent was evaporated. The residue was purified by silica gel column chromatography (n-hexane/ethyl acetate=4/1) to give the desired product as a yellow solid (5.79 g, yield 46%).

후처리

  1. temperatureThe reactor was cooled to room temperature
  2. extractionwas extracted with chloroform three times
  3. customThe resulting organic layer was dried
  4. filtrationfiltered
  5. customthe solvent was evaporated
  6. customThe residue was purified by silica gel column chromatography (n-hexane/ethyl acetate=4/1)

출처 및 근거

ORD 기록
ord-7026c5b40b254fad94f91dff883000d6
출처 데이터셋
uspto-grants-2012_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08318796B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트