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Hydrochloric Acid → 1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

HRID 244622
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HRID 244622 반응식
[N+:1](=[CH2:3])=[N-:2].[F:4][C:5]([F:14])([F:13])[C:6]#[C:7][C:8]([O:10]CC)=[O:9].Cl.O1CCOC[CH2:17]1>Cl>[CH3:3][N:1]1[C:7]([C:8]([OH:10])=[O:9])=[C:6]([C:5]([F:14])([F:13])[F:4])[CH:17]=[N:2]1
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참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 9550DiazomethaneHCID 312751,4-DioxaneHCID 3597254Ethyl 4,4,4-trifluoro-2-butynoate

생성물 1

HCID 583563791-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

시약·촉매·용매 1

HCID 313Hydrochloric Acid촉매

실험 절차

To a solution of diazomethane (0.781 g—generated from DIAZALD® (3.99 g) in diethyl ether (63 ml)), cooled by an ice/water bath, was added ethyl 4,4,4-trifluoro-2-butynoate (3.09 g) dropwise over 1 min. The cooling bath was removed and the mixture was stirred for 30 min when the solvent was removed under reduced pressure. The crude product was combined with the crude product from a similar experiment that was performed with 1,4 dioxane (5 ml) and n-pentane (15 ml) as the solvent and purified by column chromatography on silica gel to give a white solid. To a solution of a portion of this solid (100 mg) in 1,4-dioxane (2 ml) was added 2M hydrochloric acid (3 ml) and the mixture heated at reflux for 18 h, then concentrated hydrochloric acid (2 drops) was added and the mixture heated at reflux for a further 48 h. The mixture was concentrated in vacuo and the residue purified by mass directed preparative HPLC (Method A), to give the title compound, as a white solid (19 mg).

후처리

  1. customThe cooling bath was removed
  2. customwas removed under reduced pressure
  3. custompurified by column chromatography on silica gel
  4. customto give a white solid
  5. temperaturethe mixture heated
  6. temperatureat reflux for 18 h
  7. temperaturethe mixture heated
  8. temperatureat reflux for a further 48 h
  9. concentrationThe mixture was concentrated in vacuo
  10. customthe residue purified by mass

출처 및 근거

ORD 기록
ord-ae028aed0dd04777984e1d91f8dabe8f
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08658635B2

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