Carbon Dioxide → 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

HRID 2427021

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HRID 2427021 반응식
[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([C:7]([F:10])([F:9])[F:8])=[N:3]1.C([N-]C(C)C)(C)C.[Li+].[C:19](=[O:21])=[O:20].[OH-].[Na+]>CCCCCCC.O1CCCC1.C(C1C=CC=CC=1)C.C(OCC)C.O.O1CCCC1>[CH3:1][N:2]1[C:6]([C:19]([OH:21])=[O:20])=[CH:5][C:4]([C:7]([F:10])([F:9])[F:8])=[N:3]1

참가 물질

9

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온도
-78 °C

실험 절차

To a mixture of 8.71 g of 1-methyl-3-trifluoromethyl-1H-pyrazole and 130 ml of tetrahydrofuran was added dropwise 32 ml of a 2.0 mol/L lithium diisopropylamide solution in heptane/tetrahydrofuran/ethylbenzene at −78° C. The mixture of stirred at −78° C. for 2 hours and then poured into a mixture was dry ice and 50 ml of tetrahydrofuran. The mixture was stirred for 2 hours while allowing it to rise to around room temperature. Water and diethyl ether were poured into the reaction mixture. The aqueous layer was adjusted to pH 10-12 by an addition of a 2N aqueous sodium hydroxide solution, and then layers were separated. The resulting aqueous layer was washed with diethyl ether two times, adjusted to around pH 3 by an addition of 2N hydrochloric acid, and then extracted with methyl tert-butyl ether three times. The organic layers were combined, washed with an aqueous saturated sodium chloride solution, dried over magnesium sulfate, and concentrated under reduced pressure to obtain 8.19 g of 1-methyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid of the formula:

후처리

  1. additionThe mixture
  2. additionpoured into a mixture
  3. stirringThe mixture was stirred for 2 hours
  4. customto rise to around room temperature
  5. customlayers were separated
  6. washThe resulting aqueous layer was washed with diethyl ether two times
  7. additionadjusted to around pH 3 by an addition of 2N hydrochloric acid
  8. extractionextracted with methyl tert-butyl ether three times
  9. washwashed with an aqueous saturated sodium chloride solution
  10. dry with materialdried over magnesium sulfate
  11. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-14b4666279644e6d9d5b8faa2192b973
출처 데이터셋
uspto-grants-2011_06
특허 번호
US07968573B2

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