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

4-Pentenal → 1-(1-methyl-4-nitro-1H-pyrazol-5-yl)pent-4-en-1-ol

HRID 521867
노트
인쇄 미리보기

반응식

HRID 521867 반응식
[CH3:1][N:2]1[CH:6]=[C:5]([N+:7]([O-:9])=[O:8])[CH:4]=[N:3]1.[CH:10](=[O:15])[CH2:11][CH2:12][CH:13]=[CH2:14].[Li+].C[Si]([N-][Si](C)(C)C)(C)C>C1COCC1>[CH3:1][N:2]1[C:6]([CH:10]([OH:15])[CH2:11][CH2:12][CH:13]=[CH2:14])=[C:5]([N+:7]([O-:9])=[O:8])[CH:4]=[N:3]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 164184-PentenalHCID 198951-methyl-4-nitro-1H-pyrazoleHCID 2733832Lithium hexamethyldisilazane

생성물 1

HCID 867138151-(1-methyl-4-nitro-1H-pyrazol-5-yl)pent-4-en-1-ol수율 36%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

반응 조건

온도
-40 °C

실험 절차

A solution of 1-methyl-4-nitro-1H-pyrazole (9.7 g, 76.7 mmol) and 4-pentenal (10 g, 84.4 mmol) in dry THF (250 mL) was cooled to −78° C. and stirred under nitrogen. A solution of LiHMDS (1 M in THF, 192 mL, 191.7 mmol) was added dropwise over a period of 3 hr. The reaction mixture was allowed to warm and to −40° C. and stirred for 2 hr, quenched by dropwise addition of saturated ammonium chloride solution (100 mL), warmed to room temperature and diluted with EtOAc (200 mL). The organic layer was washed with saturated ammonium chloride solution (50 mL), separated, dried over MgSO4 and the solvent removed under reduced pressure. Purification via silica gel chromatography (0-100% EtOAc/DCM) followed by silica gel chromatography (0-100% EtOAc/isohexane) to gave 1-(1-methyl-4-nitro-1H-pyrazol-5-yl)pent-4-en-1-ol as a pale yellow oil (5.75 g, 36%). 1H NMR (400 MHz, CDCl3) δ 8.06 (s, 1H), 5.85-5.78 (m, 1H), 5.32-5.26 (m, 1H), 5.12-5.04 (m, 2H), 3.98 (s, 3H), 3.45 (d, J=8.7 Hz, 1H), 2.92-2.09 (m, 3H), 1.90-1.86 (m, 1H).

후처리

  1. stirringstirred for 2 hr
  2. customquenched by dropwise addition of saturated ammonium chloride solution (100 mL)
  3. temperaturewarmed to room temperature
  4. additiondiluted with EtOAc (200 mL)
  5. washThe organic layer was washed with saturated ammonium chloride solution (50 mL)
  6. customseparated
  7. dry with materialdried over MgSO4
  8. customthe solvent removed under reduced pressure
  9. customPurification via silica gel chromatography (0-100% EtOAc/DCM)

출처 및 근거

ORD 기록
ord-a751eb78b67e49309b996ebe2882add8
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09328106B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트