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

HCID 54578953, 화합물 → HCID 178448623, 화합물

HRID 2042717
노트
인쇄 미리보기

반응식

HRID 2042717 반응식
[CH2:1]([NH:5][C:6]1[C:7](=[O:14])[N:8]([CH3:13])[N:9]=[CH:10][C:11]=1Cl)[CH2:2][CH2:3][CH3:4].[F:15][C:16]1[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][C:17]=1[C:18]([N:20]=[C:21]=[S:22])=[O:19]>O1CCOCC1>[CH2:1]([N:5]1[C:6]2[C:7](=[O:14])[N:8]([CH3:13])[N:9]=[CH:10][C:11]=2[S:22]/[C:21]/1=[N:20]\[C:18](=[O:19])[C:17]1[CH:23]=[C:24]([C:27]([F:30])([F:29])[F:28])[CH:25]=[CH:26][C:16]=1[F:15])[CH2:2][CH2:3][CH3:4]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 54578953HCID 54578953, 화합물HCID 67994474HCID 67994474, 화합물

생성물 1

HCID 178448623HCID 178448623, 화합물수율 38.9%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

A mixture of 4-(butylamino)-5-chloro-2-methylpyridazin-3(2H)-one from Example 4A (130 mg, 0.60 mmol) and 2-fluoro-5-(trifluoromethyl)benzoyl isothiocyanate (248 mg, 1 mmol) in dioxane (20 mL) was heated at reflux for 72 hours. The mixture was concentrated under reduced pressure and the residue was dissolved in EtOAc, washed with saturated aqueous NaHCO3 and brine, dried with MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by chromatography (hexanes-EtOAc 3:1) to afford 100 mg of the title compound. MS (ESI) m/z 215 (M+H)+.

후처리

  1. temperaturewas heated
  2. temperatureat reflux for 72 hours
  3. concentrationThe mixture was concentrated under reduced pressure
  4. dissolutionthe residue was dissolved in EtOAc
  5. washwashed with saturated aqueous NaHCO3 and brine
  6. dry with materialdried with MgSO4
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe residue was purified by chromatography (hexanes-EtOAc 3:1)

출처 및 근거

ORD 기록
ord-ab4b1655037a43908d9d567bf9ce85dc
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08586596B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트