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

HCID 54578953, 화합물 → HCID 178448626, 화합물

HRID 2042715
노트
인쇄 미리보기

반응식

HRID 2042715 반응식
Br[C:2]1[C:7]([NH:8][CH2:9][CH2:10][CH2:11][CH3:12])=[CH:6][N:5]=[CH:4][N:3]=1.[F:13][C:14]1[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][C:15]=1[C:16]([N:18]=[C:19]=[S:20])=[O:17]>O1CCOCC1>[CH2:9]([N:8]1[C:7]2[CH:6]=[N:5][CH:4]=[N:3][C:2]=2[S:20]/[C:19]/1=[N:18]\[C:16](=[O:17])[C:15]1[CH:21]=[C:22]([C:25]([F:28])([F:27])[F:26])[CH:23]=[CH:24][C:14]=1[F:13])[CH2:10][CH2:11][CH3:12]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 54578953HCID 54578953, 화합물HCID 86660229HCID 86660229, 화합물

생성물 1

HCID 178448626HCID 178448626, 화합물수율 81.5%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

반응 조건

온도
60 °C

실험 절차

A mixture of product from Example 3A (270 mg, 1.17 mmol) and 2-fluoro-5-(trifluoromethyl)benzoyl isothiocyanate (322 mg, 1.29 mmol) in dioxane was heated at 60° C. for 12 hours. The mixture was then concentrated under reduced pressure and the residue was partitioned between ethyl acetate and saturated aqueous NaHCO3. The organic layer was washed with brine, dried with MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by chromatography (hexanes-EtOAc 1:2) to afford 380 mg of the title compound. MS (ESI) m/z 399 (M+H)+.

후처리

  1. concentrationThe mixture was then concentrated under reduced pressure
  2. customthe residue was partitioned between ethyl acetate and saturated aqueous NaHCO3
  3. washThe organic layer was washed with brine
  4. dry with materialdried with MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified by chromatography (hexanes-EtOAc 1:2)

출처 및 근거

ORD 기록
ord-d2f25dc4458744f093b64cee5868de2b
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08586596B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트