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CS-W001157 4
Total: USD 88.00

2-Chloroethyl 4-methylbenzenesulfonate

  • CAS No. 80-41-1

  • Cat. No. CS-0130585
  • Molecule weight234.70
  • Purity≥97%
  • MDL No.MFCD00000970

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

2-Chloroethyl 4-methylbenzenesulfonate|CS-0130585

Structure of 80-41-1

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General Information

  • CAS No. 80-41-1
  • Cat. No. CS-0130585
  • Purity ≥97%
  • MDL No. MFCD00000970
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClO₃S
  • Molecular Weight 234.70
  • Synonym(s) p-Toluenesulphonic acid 2-chloroethyl ester
  • SMILES CC1=CC=C(S(=O)(OCCCl)=O)C=C1

Application

2-Chloroethyl 4-methylbenzenesulfonate serves as a reliable alkylating agent for nucleophilic substitution reactions, enabling efficient introduction of the 2-chloroethyl group under mild conditions. Its bench-stable nature and compatibility with diverse nucleophiles—such as amines, thiols, and carboxylates—facilitate straightforward functionalization in synthetic workflows. The tosylate moiety provides excellent leaving group ability, while the methyl-substituted aromatic ring enhances stability and ease of purification. This reagent is particularly valuable in constructing bioactive scaffolds and modifying peptides or small molecules where selective alkylation is required.

Synthesis

  • Route1
    • null|null
      98-59-9
    • null|null
      107-07-3
    • ~97%
    • In-stock
      2-Chloroethyl 4-methylbenzenesulfonate|CS-0130585
      80-41-1

    References

    • CALIFORNIA INSTITUTE OF TECHNOLOGY Patent: WO2009/52148 A1, 2009 ; Location in patent: Page/Page column 29 ;
  • Route2
    • null|null
      54509-73-8
    • ~43%
    • In-stock
      2-Chloroethyl 4-methylbenzenesulfonate|CS-0130585
      80-41-1
    • null|null
      107-06-2

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 20, p. 205 - 213 Zhurnal Organicheskoi Khimii, , vol. 20, # 2 p. 233 - 242
  • Route3
    • null|null
      107-04-0
    • null|null
      80-48-8
    • ~67%
    • In-stock
      2-Chloroethyl 4-methylbenzenesulfonate|CS-0130585
      80-41-1
    • 2-Bromoethyl 4-methylbenzenesulfonate|CS-0570460
      19263-21-9

    References

    • Journal of Organic Chemistry, , vol. 53, # 24 p. 5783 - 5785

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.93912
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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