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CS-W001157 4
Total: USD 88.00

2,2-Difluorovinyl 4-methylbenzenesulfonate

  • CAS No. 185739-14-4

  • Cat. No. CS-0311591
  • Molecule weight234.22
  • Purity≥95%
  • MDL No.MFCD27946567

*For research and further manufacturing use only, not for direct human use.

2,2-Difluorovinyl 4-methylbenzenesulfonate|CS-0311591

Structure of 185739-14-4

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General Information

  • CAS No. 185739-14-4
  • Cat. No. CS-0311591
  • Purity ≥95%
  • MDL No. MFCD27946567
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₃S
  • Molecular Weight 234.22
  • Synonym(s) 2,2-Difluoroethenyl 4-methylbenzene-1-sulfonate
  • SMILES F/C(F)=C\OS(C1=CC=C(C)C=C1)(=O)=O

Description

This difluorovinyl sulfonate ester enables direct C–H functionalization via palladium-catalyzed coupling, offering high stability and compatibility with diverse reaction conditions. The electron-deficient vinyl group facilitates selective addition, while the 4-methylbenzenesulfonate moiety ensures efficient leaving group behavior.

Application

2,2-Difluorovinyl 4-methylbenzenesulfonate serves as a stable, bench-ready electrophilic difluorovinyl transfer reagent. It enables efficient installation of the 2,2-difluorovinyl group under mild conditions, demonstrating broad functional group tolerance and compatibility with palladium-catalyzed cross-coupling reactions. Its robustness facilitates straightforward purification and reliable incorporation into complex molecular architectures.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.43822
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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