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Chemical Structure| 1221171-77-2 Chemical Structure| 1221171-77-2

Structure of 1221171-77-2

Chemical Structure| 1221171-77-2

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Product Details of [ 1221171-77-2 ]

CAS No. :1221171-77-2
Formula : C7H3ClF3NO3
M.W : 241.55
SMILES Code : O=C(O)C1=C(OC(F)(F)F)C=NC(Cl)=C1
MDL No. :MFCD22571779
InChI Key :MXTVKRCSGPEYAX-UHFFFAOYSA-N
Pubchem ID :49871187

Safety of [ 1221171-77-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1221171-77-2 ]

* 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 [ 1221171-77-2 ]

[ 1221171-77-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 124-38-9 ]
  • [ 1206972-45-3 ]
  • [ 1221171-77-2 ]
YieldReaction ConditionsOperation in experiment
75% 1. Functionalized 3-OCF3-pyridine:; 2-Chloro-5-trifluoromethoxy isonicotinic acid (17); At 0 0C, diisopropylamine (0.25 g, 0.35 mL, 2.5 mmol, 1 eq) was added dropwise to a solution of butyllithium (1.56 M in hexane, 1.6 mL, 2.5 mmol, 1 eq) in THF (4 mL). At -78 0C, a solution of <strong>[1206972-45-3]2-chloro-5-trifluoromethoxypyridine</strong> (6, 0.5 g, 2.5 mmol, 1 eq) in THF (2 mL) was added dropwise and the reaction mixture was stirred for 2 h at this temperature. Then, the mixture was poured onto an excess of freshly crushed dry ice and allowed to reach 25 0C before being treated with an aqueous solution of sodium hydroxide (5%, 5 mL). The resulting aqueous layer was collected, washed with diethylether (2 mL) and acidified to pH 4 by dropwise addition of hydrochloric acid (6 N, 1 mL) before being extracted with ethyl acetate (3 >< 3 mL). The combined organic layers were dried over sodium sulfate and the solvents evaporated to afford pure 2- chloro-5-trifluoromethoxy isonicotinic acid (17, 0.46 g, 1.9 mmol, 75%) as a white powder; m.p. 150-152 0C.1H NMR (CDCl3, 300 MHz): delta = 8.45 (s, 1 H), 7.84 (s, 1 H), 3.88 (br s, IH). - 19F NMR (CDCl3, 282 MHz): delta = -57.8. - 13C NMR (CDCl3, 75 MHz): delta = 150.3, 144.9, 142.5, 137.1, 133.8, 126.1, 120.3 (q, J = 260 Hz). - MS(APCI+): m/z = 241 [M+], 197 [M+-CO2].
 

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