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CS-W001157 4
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Isopropyl p-bromophenyl sulfide

  • CAS No. 70398-89-9

  • Cat. No. CS-0013356
  • Purity≥95%
  • MDL No.MFCD20484423

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

Isopropyl p-bromophenyl sulfide|CS-0013356

Structure of 70398-89-9

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General Information

  • CAS No. 70398-89-9
  • Cat. No. CS-0013356
  • Purity ≥95%
  • MDL No. MFCD20484423
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁BrS
  • Molecular Weight 231.15
  • Synonym(s) Sulfide, p-bromophenyl isopropyl (7CI); (4-Bromophenyl)(isopropyl)sulfane; 1-Bromo-4-(isopropylsulfanyl)benzene; Benzene, 1-bromo-4-[(1-methylethyl)thio]-
  • SMILES CC(SC1=CC=C(Br)C=C1)C

Description

Isopropyl p-bromophenyl sulfide features a brominated aromatic ring linked to a sulfur bridge and isopropyl group, delivering enhanced stability and solubility in organic media. This structure enables efficient coupling reactions under standard conditions, serving as a key intermediate in the synthesis of functionalized aryl sulfides and pharmaceutical scaffolds.

Application

Isopropyl p-bromophenyl sulfide serves as a stable, bench-ready building block for cross-coupling reactions and heterocycle synthesis. The aryl bromide functionality enables reliable Suzuki, Stille, and Negishi couplings, while the sulfide linkage offers orthogonal reactivity and facilitates purification. Its compatibility with diverse reaction conditions and robust handling make it a practical choice for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • In-stock
      4-Bromobenzenethiol|CS-0019997
      106-53-6
    • null|null
      75-26-3
    • ~91%
    • In-stock
      Isopropyl p-bromophenyl sulfide|CS-0013356
      70398-89-9

    References

    • ELI LILLY AND COMPANY Patent: WO2004/9086 A1, 2004 ; Location in patent: Page/Page column 42-43 ; WO 2004/009086 A1
  • Route2
    • In-stock
      1,4-Dibromobenzene|CS-0000003
      106-37-6
    • null|null
      20607-43-6
    • ~%
    • In-stock
      Isopropyl p-bromophenyl sulfide|CS-0013356
      70398-89-9

    References

    • Cogolli,P. et al. Journal of Organic Chemistry, 1979 , vol. 44, # 15 p. 2642 - 2646

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.9496
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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