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CS-W001157 4
Total: USD 88.00

2,2-Difluoroethyl 4-methylbenzenesulfonate

  • CAS No. 135206-84-7

  • Cat. No. CS-W018381
  • Purity≥97%
  • MDL No.None

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

2,2-Difluoroethyl 4-methylbenzenesulfonate|CS-W018381

Structure of 135206-84-7

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General Information

  • CAS No. 135206-84-7
  • Cat. No. CS-W018381
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀F₂O₃S
  • Molecular Weight 236.24
  • Synonym(s) 2,2-Difluoroethyl p-toluenesulfonate
  • SMILES FC(F)COS(C1=CC=C(C)C=C1)(=O)=O

Description

2,2-Difluoroethyl 4-methylbenzenesulfonate is a bench-stable sulfonate ester featuring a difluoromethyl-bearing ether linkage. This electrophilic reagent facilitates efficient C–O bond formation under mild conditions, enabling selective functionalization of nucleophiles. The para-methyl group enhances lipophilicity and stability, while the electron-withdrawing trifluoromethyl-like motif promotes reactivity in cross-coupling and substitution processes.

Application

2,2-Difluoroethyl 4-methylbenzenesulfonate serves as a versatile electrophilic fluorinating agent and alkylating reagent in synthetic organic chemistry. It facilitates the efficient introduction of the 2,2-difluoroethyl group into nucleophiles under mild conditions, exhibiting good bench stability and compatibility with various functional groups. Its sulfonate leaving group enables reliable reactivity in SN2 transformations, making it a practical tool for constructing fluorinated building blocks in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.96542
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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