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CS-W001157 4
Total: USD 88.00

Diethyl 1,4-dibromo-2,5-benzenedicarboxylate

  • CAS No. 18013-97-3

  • Cat. No. CS-0020090
  • Molecule weight380.03
  • Purity≥97%
  • MDL No.MFCD12407163

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

Diethyl 1,4-dibromo-2,5-benzenedicarboxylate|CS-0020090

Structure of 18013-97-3

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General Information

  • CAS No. 18013-97-3
  • Cat. No. CS-0020090
  • Purity ≥97%
  • MDL No. MFCD12407163
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂Br₂O₄
  • Molecular Weight 380.03
  • Synonym(s) Diethyl 2,5-dibromo-1,4-benzenedicarboxylate; Diethyl 2,5-dibromoterephthalate; 2,5-Dibromoterephthalic Acid Diethyl Ester
  • SMILES O=C(C1=CC(Br)=C(C(OCC)=O)C=C1Br)OCC

Description

Diethyl 1,4-dibromo-2,5-benzenedicarboxylate features a rigid aromatic core with brominated positions flanking ester-functionalized carbons. This configuration enables direct incorporation into Suzuki-Miyaura coupling protocols and facilitates downstream diversification in modular synthesis of functionalized arenes.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      2,5-Dibromoterephtalic acid|CS-W002512
      13731-82-3
    • ~96%
    • In-stock
      Diethyl 1,4-dibromo-2,5-benzenedicarboxylate|CS-0020090
      18013-97-3

    References

    • ETERNAL CHEMICAL CO., LTD. Patent: US2010/168444 A1, 2010 ; Location in patent: Page/Page column 4-8 ;
  • Route2
    • null|null
      6165-68-0
    • ~%
    • In-stock
      Diethyl 1,4-dibromo-2,5-benzenedicarboxylate|CS-0020090
      18013-97-3

    References

    • EP2696351 A2, ; Page/Page column ;
  • Route3

    References

    • New Journal of Chemistry, , vol. 30, # 5 p. 667 - 670

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   52.6
  • LogP   3.565
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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