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

4-Nitrobenzaldehyde → 4-Methyl-1-(4-nitrophenyl)pent-2-yne-1,4-diol

HRID 655415
노트
인쇄 미리보기

반응식

HRID 655415 반응식
[CH3:1][C:2]([OH:6])([C:4]#[CH:5])[CH3:3].[Li]CCCC.[N+:12]([C:15]1[CH:22]=[CH:21][C:18]([CH:19]=[O:20])=[CH:17][CH:16]=1)([O-:14])=[O:13]>C1COCC1>[CH3:1][C:2]([OH:6])([CH3:3])[C:4]#[C:5][CH:19]([C:18]1[CH:17]=[CH:16][C:15]([N+:12]([O-:14])=[O:13])=[CH:22][CH:21]=1)[OH:20]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 5414-NitrobenzaldehydeHCID 82582-Methyl-3-butyn-2-olHCID 178418339Butyllithium

생성물 1

HCID 593547764-Methyl-1-(4-nitrophenyl)pent-2-yne-1,4-diol수율 65%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

반응 조건

온도
-78 °C

실험 절차

To a stirred −78° C. solution of 2-methylbut-3-yn-2-ol (6.1 mL, 63.5 mmol, 1.2 eq) in dry THF (250 mL), n-BuLi (62 mL, 2.3 M in hexane, 142 mmol, 2.7 eq) was added dropwise over 10 minutes under an inert atmosphere. After being stirred for 40 min at −78° C., a solution of 4-nitrobenzaldehyde (8 g, 52.9 mmol, 1 eq) in dry THF (50 mL) was added to the reaction mixture and stirring was continued for an additional 1 h at −78° C. The reaction mixture was then quenched with a saturated NH4Cl solution and extracted with EtOAc (2×200 mL). The combined organic layers were washed with water (200 mL) and brine (100 mL), dried over Na2SO4, filtered, and concentrated in vacuo. The resulting residue was purified by column chromatography (30% ethyl acetate in hexanes) to afford 4-methyl-1-(4-nitrophenyl)pent-2-yne-1,4-diol (8 g, 65%) as a yellow solid.

후처리

  1. stirringstirring
  2. waitwas continued for an additional 1 h at −78° C
  3. customThe reaction mixture was then quenched with a saturated NH4Cl solution
  4. extractionextracted with EtOAc (2×200 mL)
  5. washThe combined organic layers were washed with water (200 mL) and brine (100 mL)
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated in vacuo
  9. customThe resulting residue was purified by column chromatography (30% ethyl acetate in hexanes)

출처 및 근거

ORD 기록
ord-2531a06588f841a785d9180b53eb60e8
출처 데이터셋
uspto-grants-2011_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08071595B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트