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2-Methyl-3-butyn-2-ol → HCID 68818392, 화합물

HRID 729477
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HRID 729477 반응식
Br[C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][CH:11]([O:14][C:15]3[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=3[Br:22])[CH2:10][CH2:9]2)=[N:6][CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[CH3:29][C:30]([OH:34])([C:32]#[CH:33])[CH3:31]>[Cu]I.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O>[Br:22][C:16]1[CH:17]=[CH:18][C:19]([F:21])=[CH:20][C:15]=1[O:14][CH:11]1[CH2:12][CH2:13][N:8]([C:5]2[N:4]=[CH:3][C:2]([C:33]#[C:32][C:30]([CH3:31])([OH:34])[CH3:29])=[CH:7][N:6]=2)[CH2:9][CH2:10]1
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참가 물질

7

반응물 3

HCID 82582-Methyl-3-butyn-2-olHCID 11430Potassium CarbonateHCID 688207805-Bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine

생성물 1

HCID 68818392HCID 68818392, 화합물

시약·촉매·용매 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매
HCID 178418397
HCID 178418397, 화합물
촉매
HCID 962Water용매

반응 조건

온도
90 °C

실험 절차

Into a flame-dried 25-mL sealable pressure flask equipped with a magnetic stirbar and under nitrogen was added 5-bromo-2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidine (500 mg, 1.16 mmol), copper(I) iodide (44 mg, 0.23 mmol), Pd(PPh3)4 (100 mg, 0.09 mmol) and potassium carbonate (400 mg, 2.90 mmol). The flask was evacuated under vacuum (1 mm Hg) and backfilled with nitrogen (repeated 3 times). The solids were taken up in dimethoxyethane (4 mL) and water (4 mL) and degassed for 10 min with a stream of nitrogen. The contents of the flask where then heated to 90° C. and 2-methyl-3-butyn-2-ol (0.135 mL, 1.39 mmol) was added and the mixture heated at 90° C. for 1 h. The mixture was cooled, poured into a 250-mL separatory funnel containing water (125 mL) and the mixture was extracted with ethyl acetate (3×50 mL). The combined organic layers were washed with brine, dried over MgSO4, filtered and the solvent was evaporated under reduced pressure. Purification by column chromatography through silica gel, eluting with 10% EtOAc in hexanes to 50% EtOAc in hexanes as a gradient gave the desired product as a beige solid.

후처리

  1. customInto a flame-dried 25-mL sealable pressure flask equipped with a magnetic stirbar and under nitrogen
  2. customThe flask was evacuated under vacuum (1 mm Hg)
  3. customwater (4 mL) and degassed for 10 min with a stream of nitrogen
  4. temperaturethe mixture heated at 90° C. for 1 h
  5. temperatureThe mixture was cooled
  6. additionpoured into a 250-mL separatory funnel
  7. extractionthe mixture was extracted with ethyl acetate (3×50 mL)
  8. washThe combined organic layers were washed with brine
  9. dry with materialdried over MgSO4
  10. filtrationfiltered
  11. customthe solvent was evaporated under reduced pressure
  12. customPurification by column chromatography through silica gel
  13. washeluting with 10% EtOAc in hexanes to 50% EtOAc in hexanes as a gradient

출처 및 근거

ORD 기록
ord-fe4d7c5024df44c888a15fc0c7d833c3
출처 데이터셋
uspto-grants-2009_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07582633B2

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