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Cesium carbonate → 2-Nitro-6-(prop-1-en-2-yl)benzonitrile

HRID 711747
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HRID 711747 반응식
FC(F)(F)S(O[C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-:15])=[O:14])[C:8]=1[C:16]#[N:17])(=O)=O.[B-](F)(F)(F)[C:21]([CH3:23])=[CH2:22].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>C1COCC1.O.CCOC(C)=O.[Pd+2].ClC1C=C[C-](P(C2C=CC=CC=2)C2C=CC=CC=2)C=1Cl.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2]>[N+:13]([C:9]1[CH:10]=[CH:11][CH:12]=[C:7]([C:21]([CH3:23])=[CH2:22])[C:8]=1[C:16]#[N:17])([O-:15])=[O:14]
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참가 물질

8

반응물 3

HCID 10796Cesium carbonateHCID 23670158Potassium (prop-1-en-2-yl)trifluoroborateHCID 866574732-Cyano-3-nitrophenyl trifluoromethanesulfonate

생성물 1

HCID 673983412-Nitro-6-(prop-1-en-2-yl)benzonitrile수율 50.6%

시약·촉매·용매 4

HCID 178478230HCID 178478230, 화합물촉매
HCID 962
Water
용매
2회
HCID 8028Tetrahydrofuran용매
HCID 8857Ethyl Acetate용매

실험 절차

A suspension of 2-cyano-3-nitrophenyl trifluoromethanesulfonate (Example 129d) (0.93 g, 3.15 mmol), potassium trifluoro(prop-1-en-2-yl)borate (0.70 g, 4.73 mmol), dichloro 1,1′-bis(diphenylphosphino)ferrocene palladium(II) (0.26 g, 0.32 mmol), cesium carbonate (3.08 g, 9.45 mmol) and water (5.6 mL) in THF (56 mL) was heated at reflux for 25 min, under a nitrogen atmosphere. The reaction mixture was cooled to room temperature and diluted with water (100 mL) and EtOAc (100 mL). The organic phase was separated and the aqueous phase was extracted with EtOAc (3×100 mL). The combined extract was washed with diluted HCl (1.5M), brine and dried with anhydrous MgSO4. The filtrate was evaporated and the residue was purified by chromatography on silica gel using gradient hexanes to hexanes/EtOAc (7:3), to give 0.30 g (49%) of the title compound as a yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 8.24-8.29 (m, 1H), 7.86-7.95 (m, 2H), 5.47-5.52 (m, 1H), 5.20-5.23 (m, 1H), 2.12-2.15 (m, 3H).

후처리

  1. temperaturewas heated
  2. temperatureat reflux for 25 min, under a nitrogen atmosphere
  3. customThe organic phase was separated
  4. extractionthe aqueous phase was extracted with EtOAc (3×100 mL)
  5. extractionThe combined extract
  6. washwas washed with diluted HCl (1.5M), brine
  7. dry with materialdried with anhydrous MgSO4
  8. customThe filtrate was evaporated
  9. customthe residue was purified by chromatography on silica gel using gradient hexanes to hexanes/EtOAc (7:3)

출처 및 근거

ORD 기록
ord-b8e747fb0ef84b93b35fd01e07e27da0
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09181276B2

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