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Chemical Structure| 252947-01-6 Chemical Structure| 252947-01-6

Structure of 252947-01-6

Chemical Structure| 252947-01-6

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Product Details of [ 252947-01-6 ]

CAS No. :252947-01-6
Formula : C6H9F5O3S
M.W : 256.19
SMILES Code : CS(=O)(OCCCC(F)(F)C(F)(F)F)=O
MDL No. :MFCD04972956
InChI Key :MFRVGMDZPRZPDM-UHFFFAOYSA-N
Pubchem ID :12017056

Safety of [ 252947-01-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 252947-01-6 ]

* 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 [ 252947-01-6 ]

[ 252947-01-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 252947-01-6 ]
  • [ 7343-33-1 ]
  • 3-bromo-1-(4,4,5,5,5-pentafluoropentyl)-1H-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
49% With caesium carbonate; In acetonitrile; at 20 - 24℃; for 72h; To a suspension of <strong>[7343-33-1]3-bromo-1H-1,2,4-triazole</strong> (5.0 g, 34 mmol) and cesiumcarbonate (11 g, 34 mmol) in acetonitrile (50 mL) was added 1,1,1-trifluoro-4-iodobutane (6.8 mL, 34 mmol). The solution was stirred at room temperature for 72 hours. The solution was poured into water (50 mL) and extracted with diethyl ether (2 x 100 mL). The combined organic layers were concentrated. Purification by flash column chromatography using 0-20percent ethyl acetate/hexanes as eluent, provided the titlecompound as a 70:30 mixture of isomers (3.2 g, 37percent). The mixture was used in the next step without further purification; Prepared using 4,4,5,5,5-pentafluoropentyl methanesulfonate and isolated as a light-brown liquid (3.5 g, 49percent): 1H NMR (400 MHz, CDCI3) O 7.90 (s, 1H), 4.32 - 4.30 (m, 2H), 2.27 - 2.00 (m, 4H); ESIMS m/z 308 ([M+H]).
 

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