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Chemical Structure| 175676-42-3 Chemical Structure| 175676-42-3

Structure of 175676-42-3

Chemical Structure| 175676-42-3

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Product Details of [ 175676-42-3 ]

CAS No. :175676-42-3
Formula : C8H7F3O3S
M.W : 240.20
SMILES Code : FC(F)(OS(C1=CC=C(C)C=C1)(=O)=O)F
MDL No. :MFCD31695793
InChI Key :NHBKFPDJMAEDOS-UHFFFAOYSA-N
Pubchem ID :13494930

Safety of [ 175676-42-3 ]

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 [ 175676-42-3 ]

* 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 [ 175676-42-3 ]

[ 175676-42-3 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 175676-42-3 ]
  • [ 1454-85-9 ]
  • 1-(trifluoromethoxy)heptadecane [ No CAS ]
  • 2
  • [ 175676-42-3 ]
  • [ 262373-15-9 ]
  • 2-iodo-5-methyl-1-(trifluoromethoxy)benzene [ No CAS ]
  • 2-iodo-4-methyl-1-(trifluoromethoxy)benzene [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium fluoride; 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; cis-dicyclohexano-18-C-6; carbonic acid dimethyl ester; at 60℃; for 12h; General procedure: To a 15 mL of pressure-proof pipe equipped with a stir bar was added 1 (0.50 mmol, 1.00 equiv), cis-DCy-18-C-6 (372.49 mg, 1.00 mmol, 2.0 equiv), C4F9I (1037.79 mg, 3.00 mmol, 6.00 equiv) and DMC (3.0 mL) in the glove box. 2a (240.20 mg, 1.00 mmol, 2.0 equiv) and KF (116.20 mg, 2.00 mmol, 4.00 equiv) were added with stirring at room temperature. The reaction was stirred at 60 C for 12 h and cooled to room temperature. The solvent was evaporated under vacuum and the crude product was purified by flash column chromatography to give products 3. Yields were listed in Table 5. The ratio of regioisomer ab/ba was determined by 19F NMR spectroscopy.
  • 3
  • [ 175676-42-3 ]
  • [ 88284-48-4 ]
  • [ 175278-00-9 ]
YieldReaction ConditionsOperation in experiment
64% With potassium fluoride; 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; cis-dicyclohexano-18-C-6; carbonic acid dimethyl ester; at 60℃; for 12h; General procedure: To a 15 mL of pressure-proof pipe equipped with a stir bar was added 1 (0.50 mmol, 1.00 equiv), cis-DCy-18-C-6 (372.49 mg, 1.00 mmol, 2.0 equiv), C4F9I (1037.79 mg, 3.00 mmol, 6.00 equiv) and DMC (3.0 mL) in the glove box. 2a (240.20 mg, 1.00 mmol, 2.0 equiv) and KF (116.20 mg, 2.00 mmol, 4.00 equiv) were added with stirring at room temperature. The reaction was stirred at 60 C for 12 h and cooled to room temperature. The solvent was evaporated under vacuum and the crude product was purified by flash column chromatography to give products 3. Yields were listed in Table 5. The ratio of regioisomer ab/ba was determined by 19F NMR spectroscopy.
  • 4
  • [ 175676-42-3 ]
  • [ 88284-48-4 ]
  • [ 456-55-3 ]
  • [ 175278-00-9 ]
  • 5
  • [ 175676-42-3 ]
  • [ 57280-22-5 ]
  • C8H13F3O4 [ No CAS ]
  • 6
  • [ 175676-42-3 ]
  • [ 31865-25-5 ]
  • C13H14F3NO4 [ No CAS ]
 

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