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Sodium Carbonate → HCID 67980833, 화합물

HRID 1427490
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HRID 1427490 반응식
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:8]=[CH:7][C:6](B(O)O)=[CH:5][CH:4]=1.Br[C:15]1[CH:22]=[CH:21][C:20]([CH:23]([OH:27])[CH2:24][CH2:25][CH3:26])=[CH:19][C:16]=1[C:17]#[N:18].C(=O)([O-])[O-].[Na+].[Na+]>C(#N)C>[OH:27][CH:23]([C:20]1[CH:19]=[C:16]([C:17]#[N:18])[C:15]([C:6]2[CH:7]=[CH:8][C:3]([C:2]([F:13])([F:12])[F:1])=[CH:4][CH:5]=2)=[CH:22][CH:21]=1)[CH2:24][CH2:25][CH3:26]
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참가 물질

5

반응물 3

HCID 10340Sodium CarbonateHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 67980648HCID 67980648, 화합물

생성물 1

HCID 67980833HCID 67980833, 화합물수율 83.2%

시약·촉매·용매 1

HCID 6342Acetonitrile용매

반응 조건

온도
140 °C

실험 절차

A sealed flask was charged with the (4-(trifluoromethyl)phenyl)boronic acid (1.09 g, 5.76 mmol), 2-bromo-5-(1-hydroxybutyl)benzonitrile (1.33 g, 5.23 mmol) and acetonitrile (17 mL). Once everything get into solution, 1,1′-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex (115 mg, 157 μmol) was added followed by the sodium carbonate 2M aq. (6.54 mL, 13.1 mmol). Flask sealed and heated at 140° C. for 1 hour. Organic solvent removed under reduced pressure and ethyl acetate added. Organics washed with water (1×), with brine (1×), dried over sodium sulfate, filtered and concentrated to provide the crude material. Purification by silica gel flash chromatography (Ethyl Acetate/Heptane) provide the title compound as a colorless oil (1.39 g, 83.2%). 1H NMR (400 MHz, DMSO-d6) δ 0.87-0.93 (m, 3H) 1.25-1.45 (m, 2H) 1.57-1.67 (m, 2H) 4.64-4.70 (m, 1H) 5.41 (d, J=4.68 Hz, 1H) 7.64 (d, J=8.00 Hz, 1H) 7.75-7.79 (m, 1H) 7.82 (d, J=8.00 Hz, 2H) 7.88-7.94 (m, 3H).

후처리

  1. customOnce everything get into solution, 1,1′-Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex (115 mg, 157 μmol)
  2. additionwas added
  3. customFlask sealed
  4. customOrganic solvent removed under reduced pressure and ethyl acetate
  5. additionadded
  6. washOrganics washed with water (1×), with brine (1×)
  7. dry with materialdried over sodium sulfate
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customto provide the crude material
  11. customPurification by silica gel flash chromatography (Ethyl Acetate/Heptane)

출처 및 근거

ORD 기록
ord-15cd612f60ed4dd8ac2faa689ad87371
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08933104B2

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