Cesium carbonate → 5-Cyclopropyl-6-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid

HRID 632360

反応式

HRID 632360 の反応式
[CH:1]1([B-](F)(F)F)[CH2:3][CH2:2]1.[K+].C(=O)([O-])[O-].[Cs+].[Cs+].Br[C:16]1[CH:17]=[CH:18][C:19]([C:28]([OH:30])=[O:29])=[N:20][C:21]=1[O:22][CH2:23][C:24]([F:27])([F:26])[F:25]>CC([O-])=O.CC([O-])=O.[Pd+2].C(PC12CC3CC(CC(C3)C1)C2)CCC>[CH:1]1([C:16]2[CH:17]=[CH:18][C:19]([C:28]([OH:30])=[O:29])=[N:20][C:21]=2[O:22][CH2:23][C:24]([F:26])([F:27])[F:25])[CH2:3][CH2:2]1

参加物

6

反応条件

温度
120 °C

実験手順

In a 150 ml round-bottom-flask, Pd(OAc)2 (15.7 mg, 70.0 μmol), butyl-1-adamantylphosphin (37.6 mg, 105 μmol), potassium cyclopropyltrifluoroborate (523 mg, 3.53 mmol), cesium carbonate (3.42 g, 10.5 mmol) and 5-bromo-6-(2,2,2-trifluoroethoxy)picolinic acid (Example 282a) (1.05 g, 3.5 mmol) were combined. The flask was evacuated in vacuo and flushed with argon three times, followed by addition of a mixture toluene (25 ml)/H2O (3 ml) through a septum cap. The reaction mixture was heated to 120° C., stirred for 20 h and then cooled to ambient temperature. Evaporation of volatiles in vacuo and the residue was redissolved in ethyl acetate and extracted with 1M HCl (12.5 ml). The aqueous phase was back-extracted with ethyl acetate. The combined organic layers were dried over Na2SO4 and concentrated in vacuo The crude material was purified by flash chromatography (silica gel, 50 g, 0% to 5% MeOH in DCM) to give the title compound (530 mg, 58%). MS (EI): m/e=262.2[M+H]+.

後処理

  1. customThe flask was evacuated in vacuo
  2. customflushed with argon three times
  3. additionfollowed by addition of a mixture toluene (25 ml)/H2O (3 ml) through a septum
  4. customcap
  5. temperaturecooled to ambient temperature
  6. customEvaporation of volatiles in vacuo
  7. dissolutionthe residue was redissolved in ethyl acetate
  8. extractionextracted with 1M HCl (12.5 ml)
  9. extractionThe aqueous phase was back-extracted with ethyl acetate
  10. dry with materialThe combined organic layers were dried over Na2SO4
  11. concentrationconcentrated in vacuo The crude material
  12. customwas purified by flash chromatography (silica gel, 50 g, 0% to 5% MeOH in DCM)

出典と根拠

ORDレコード
ord-c626cdfda4ca4fea95035200c0666d64
出典データセット
uspto-grants-2016_04
特許番号
US09321727B2

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