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

Benzyltriphenylphosphonium bromide → 3-(2-chlorophenyl)-5-[(2E)-1,1-dimethyl-3-phenylprop-2-en-1-yl]-4-methyl-1,2,4-triazol

HRID 503004
노트
인쇄 미리보기

반응식

HRID 503004 반응식
[Br-].[CH2:2]([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C([Li])CCC.[Cl:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[C:40]1[N:41]([CH3:50])[C:42]([C:45]([CH3:49])([CH3:48])[CH:46]=O)=[N:43][N:44]=1>C1COCC1>[Cl:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[C:40]1[N:41]([CH3:50])[C:42]([C:45]([CH3:49])([CH3:48])/[CH:46]=[CH:2]/[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=2)=[N:43][N:44]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 2734970Benzyltriphenylphosphonium bromideHCID 866162232-[5-(2-Chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methylpropanalHCID 178418339Butyllithium

생성물 1

HCID 684670143-(2-chlorophenyl)-5-[(2E)-1,1-dimethyl-3-phenylprop-2-en-1-yl]-4-methyl-1,2,4-triazol수율 10.6%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran
용매
2회

실험 절차

Benzyltriphenylphosphonium bromide (1.15 g) was suspended in THF (30 ml) and, under ice cooling, n-butyllithium (1.60M hexane solution, 1.50 ml) was added thereto, followed by stirring at room temperature for 30 minutes. A THF (20 ml) solution of 2-[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methylpropanal (633 mg) was added dropwise to the reaction solution and the whole was stirred under heating and refluxing for 20 hours. The reaction mixture was quenched with water (50 ml) and then extracted with ethyl acetate (50 ml×2). The organic layer washed with a 1M aqueous hydrochloric acid solution (30 ml), a saturated aqueous sodium bicarbonate solution, and a brine (30 ml). The organic layer was dried and then concentrated under reduced pressure and the resulting residue was purified by silica gel column chromatography (methanol:chloroform=2:98) and preparative thin layer chromatography (ethyl acetate:hexane=3:1) to obtain 86 mg of 3-(2-chlorophenyl)-5-[(2E)-1,1-dimethyl-3-phenylprop-2-en-1-yl]-4-methyl-1,2,4-triazol (white solid).

후처리

  1. stirringthe whole was stirred
  2. temperatureunder heating
  3. temperaturerefluxing for 20 hours
  4. customThe reaction mixture was quenched with water (50 ml)
  5. extractionextracted with ethyl acetate (50 ml×2)
  6. washThe organic layer washed with a 1M aqueous hydrochloric acid solution (30 ml)
  7. customThe organic layer was dried
  8. concentrationconcentrated under reduced pressure
  9. customthe resulting residue was purified by silica gel column chromatography (methanol:chloroform=2:98) and preparative thin layer chromatography (ethyl acetate:hexane=3:1)

출처 및 근거

ORD 기록
ord-7fce80a184f640ef96511826f619169f
출처 데이터셋
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07776897B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트