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CS-W001157 4
Total: USD 88.00

4-Butoxybenzenesulfonyl chloride

  • CAS No. 1138-56-3

  • Cat. No. CS-0181849
  • Purity≥96%
  • MDL No.MFCD00052344

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

4-Butoxybenzenesulfonyl chloride|CS-0181849

Structure of 1138-56-3

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General Information

  • CAS No. 1138-56-3
  • Cat. No. CS-0181849
  • Purity ≥96%
  • MDL No. MFCD00052344
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClO₃S
  • Molecular Weight None
  • Synonym(s) 4-n-Butoxybenzenesulfonyl Chloride
  • SMILES O=S(C1=CC=C(OCCCC)C=C1)(Cl)=O

Description

4-Butoxybenzenesulfonyl chloride features a butoxy-substituted aromatic ring that enhances solubility in organic media while the sulfonyl chloride group enables efficient coupling reactions. This reagent integrates readily into sulfonamide syntheses and serves as a key intermediate in the development of functionalized pharmaceuticals and agrochemicals under standard conditions.

Application

4-Butoxybenzenesulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of sulfonate groups into aromatic and heteroaromatic systems. Its stability under standard bench conditions and compatibility with diverse functional groups facilitate clean derivatization in late-stage synthesis. The butoxy substituent enhances solubility in organic media, enabling straightforward purification and scalability in pharmaceutical and agrochemical intermediate production.

Synthesis

  • Route1
    • null|null
      352209-87-1
    • ~61%
    • In-stock
      4-Butoxybenzenesulfonyl chloride|CS-0181849
      1138-56-3

    References

    • Guo, Xiaoke; Yang, Qian; Xu, Jing; Zhang, Li; Chu, Hongxi; Yu, Peng; Zhu, Yingying; Wei, Jinglian; Chen, Weilin; Zhang, Yaozhong; Zhang, Xiaojin; Sun, Haopeng; Tang, Yiqun; You, Qidong Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 21 p. 6466 - 6476
  • Route2

    References

    • LEAD Therapeutics, Inc. Patent: US2010/105607 A1, 2010 ; US 20100105607 A1
  • Route3
    • null|null
      139-02-6
    • ~%
    • In-stock
      4-Butoxybenzenesulfonyl chloride|CS-0181849
      1138-56-3

    References

    • Bulletin de la Societe Chimique de France, , p. 248 - 250

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.793
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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