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

Water → 1-methyl-2-trifluoromethyl-1H-indole-5-carbonitrile

HRID 388386
노트
인쇄 미리보기

반응식

HRID 388386 반응식
[H-].[Na+].[F:3][C:4]([F:17])([F:16])[C:5]1[NH:6][C:7]2[C:12]([CH:13]=1)=[CH:11][C:10]([C:14]#[N:15])=[CH:9][CH:8]=2.I[CH3:19].O>CN(C=O)C>[CH3:19][N:6]1[C:7]2[C:12](=[CH:11][C:10]([C:14]#[N:15])=[CH:9][CH:8]=2)[CH:13]=[C:5]1[C:4]([F:3])([F:16])[F:17]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 6328Methyl iodideHCID 24758Sodium hydrideHCID 581268122-(trifluoromethyl)-1H-indole-5-carbonitrile2회

생성물 1

HCID 581268251-methyl-2-trifluoromethyl-1H-indole-5-carbonitrile수율 135.9%

시약·촉매·용매 1

HCID 6228Dimethylformamide
용매

실험 절차

Sodium hydride (60% in mineral oil) (76 mg, 1.903 mmol) was added to 2-trifluoromethyl-1H-indole-5-carbonitrile (Intermediate 3, 200 mg, 0.952 mmol) stirred in DMF (5 ml) under argon at room temperature. The reaction mixture was stirred at room temperature for 30 min and iodomethane (0.119 ml, 1.903 mmol) was then added. The reaction mixture was left to stir for a further 1 h. The reaction mixture was poured into water (50 ml) and extracted with ethyl acetate (50 ml). The organic extract was washed with 1:1 water:Brine (50 ml×2), dried (MgSO4), filtered and the solvent removed to give the title compound (290 mg) which was then used in the next reaction without further purification;

후처리

  1. waitThe reaction mixture was left
  2. stirringto stir for a further 1 h
  3. extractionextracted with ethyl acetate (50 ml)
  4. extractionThe organic extract
  5. washwas washed with 1:1 water
  6. dry with materialBrine (50 ml×2), dried (MgSO4)
  7. filtrationfiltered
  8. customthe solvent removed

출처 및 근거

ORD 기록
ord-9c9eec2598734711872e4406e78122cc
출처 데이터셋
uspto-grants-2013_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08377941B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트