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Chemical Structure| 248274-16-0 Chemical Structure| 248274-16-0

Structure of 248274-16-0

Chemical Structure| 248274-16-0

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Product Details of [ 248274-16-0 ]

CAS No. :248274-16-0
Formula : C8H6F3NO
M.W : 189.13
SMILES Code : CC(C1=NC=C(C(F)(F)F)C=C1)=O
MDL No. :MFCD10696269
InChI Key :WYRKSIGKZKKJAY-UHFFFAOYSA-N
Pubchem ID :9836980

Safety of [ 248274-16-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 248274-16-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 248274-16-0 ]

[ 248274-16-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 248274-16-0 ]
  • [ 666746-27-6 ]
  • [ 849370-44-1 ]
YieldReaction ConditionsOperation in experiment
Step 3; Preparation of t-butyl 4-[1-hydroxy-1-(5-trifluoromethylpyridin-2-yl)ethyl]-2-methylcarbanilate; Under nitrogen atmosphere, to 40 ml of a t-butylmethylether solution containing 3.0 g of t-butyl 4-iodo-2-methylcarbanilate was added dropwise 12.5 ml of n-butyl lithium (1.57M hexane solution) at -50C under stirring, and after completion of the dropwise addition, the temperature of the mixture was raised to 0C, and the mixture was stirred for further 30 minutes. Then, the reaction mixture was cooled to -78C, 1.7 g of 2-acetyl-5-trifluoromethylpyridine was added thereto, the temperature of the mixture was gradually raised to 0C, and stirring was continued at the same temperature for further 14 hours. After completion of the reaction, to the reaction mixture was added 100 ml of a saturated aqueous ammonium chloride solution, the organic layer was collected by separation, and the aqueous layer was extracted with 100 ml of ethyl acetate. The organic layers were combined, dried over anhydrous magnesium sulfate, and the solvent was removed under reduced pressure. The residue was purified by silica gel chromatography eluting with ethyl acetate-hexane (1:9 to 2:3) to obtain 1.3 g of the objective product as brown solid. Melting point: 132.0 to 134.5C 1H NMR (CDCl3, Me4Si, 300MHz) δ 8.79 (bs, 1H), 7.86 (dd, J=8.3, 2.1Hz, 1H), 7.77 (d, J=8.3Hz, 1H), 7.42 (d, J=8.3Hz, 1H), 7.2-7.3 (m, 2H), 6.24 (bs, 1H). 5.23 (s, 1H), 2.22 (s, 3H), 1.92 (s, 3H), 1.51 (s, 9H).
 

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