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

Sodium Sulfite → 1-Acetyl-3-(2,5-difluorophenyl)-5-phenyl-5-vinyl-4,5-dihydro-1H-pyrazole

HRID 1864759
노트
인쇄 미리보기

반응식

HRID 1864759 반응식
[C:1]([N:4]1[C:8]([CH2:15]O)([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH2:7][C:6]([C:17]2[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=2[F:24])=[N:5]1)(=[O:3])[CH3:2].[CH3:25]C(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C([O-])(O)=O.[Na+].[O-]S([O-])=O.[Na+].[Na+].[Li]CCCC>C(Cl)Cl.[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1COCC1>[C:1]([N:4]1[C:8]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)([CH:15]=[CH2:25])[CH2:7][C:6]([C:17]2[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=2[F:24])=[N:5]1)(=[O:3])[CH3:2]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 24437Sodium SulfiteHCID 159087TriacetoxyperiodinaneHCID 516892Sodium BicarbonateHCID 57975500[1-Acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]methanolHCID 178418339Butyllithium

생성물 1

HCID 579754961-Acetyl-3-(2,5-difluorophenyl)-5-phenyl-5-vinyl-4,5-dihydro-1H-pyrazole

시약·촉매·용매 3

HCID 74505Methyltriphenyliphosphonium bromide촉매HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매2회

반응 조건

온도
-78 °C

실험 절차

To a solution of 3.96 g (12.0 mmol) 1-3 in 200 mL CH2Cl2 was added 5.6 g (13.2 mmol) Dess-Martin Periodinane and the mixture was stirred for 3 h. To this was then added a saturated aqueous solution of NaHCO3 and also some solid Na2SO3, and the biphasic mixture was stirred vigorously for 1 h. The layers were separated, the organic was washed with saturated NaHCO3, water, dried over Na2SO4 and concentrated to provide the crude aldehyde. In a separate flask, 6.4 g (18.0 mmol) methyl triphenylphosphonium bromide was suspended in 100 mL of THF, cooled to −78° C., and 7.2 mL (18.0 mmol) 2.5M nBuLi in hexanes was added. After stirring for 30 min, the above aldehyde dissolved in 30 mL of THF was cannulated into the reaction flask and stirring was continued for 30 min at −78° C. The cooling bath was removed and the reaction was allowed to stir for 1 h while coming to room temperature. The reaction was quenched with saturated aqueous NH4Cl, the mixture was dumped into a separatory funnel with EtOAc, the layers were separated, the aqueous layer was extracted with EtOAc, the combined organics were washed with brine, dried over Na2SO4, and concentrated. The residue was purified by silica gel chromatography with EtOAc/hexanes to provide 1-4 as a pale yellow solid. Data for 1-4: 1HNMR (500 MHz, CDCl3) δ 7.7 (m, 1H), 7.35-7.25 (m, 5H), 7.05 (m, 2H), 6.8 (m, 1H), 5.45 (m, 1H), 5.35 (m, 1H), 3.9 (m, 1H), 3.4 (m, 1H), 2.4 (s, 3H) ppm. HRMS (ES) calc'd M+H for C19H16F2N2O: 327.1304. Found: 327.1294.

후처리

  1. customThe layers were separated
  2. washthe organic was washed with saturated NaHCO3, water
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated
  5. customto provide the crude aldehyde
  6. stirringAfter stirring for 30 min
  7. stirringstirring
  8. waitwas continued for 30 min at −78° C
  9. customThe cooling bath was removed
  10. stirringto stir for 1 h
  11. customwhile coming to room temperature
  12. customThe reaction was quenched with saturated aqueous NH4Cl
  13. customthe mixture was dumped into a separatory funnel with EtOAc
  14. customthe layers were separated
  15. extractionthe aqueous layer was extracted with EtOAc
  16. washthe combined organics were washed with brine
  17. dry with materialdried over Na2SO4
  18. concentrationconcentrated
  19. customThe residue was purified by silica gel chromatography with EtOAc/hexanes

출처 및 근거

ORD 기록
ord-078a2e17ed904782864e89f503bc9630
출처 데이터셋
uspto-grants-2009_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07625936B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트