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CS-W001157 4
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4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one

  • CAS No. 5411-61-0

  • Cat. No. CS-0140242
  • Purity≥98%
  • MDL No.MFCD10565602

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

4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one|CS-0140242

Structure of 5411-61-0

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General Information

  • CAS No. 5411-61-0
  • Cat. No. CS-0140242
  • Purity ≥98%
  • MDL No. MFCD10565602
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₂
  • Molecular Weight 241.08
  • Synonym(s) NSC 10995
  • SMILES O=C1CCC2=C1C(OC)=CC=C2Br

Description

4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one features a brominated indenone core with a methoxy group at the 7-position, offering a sterically accessible carbonyl for nucleophilic addition. This bench-stable scaffold integrates readily into complex molecular architectures, enabling efficient access to functionalized heterocycles in synthetic and medicinal chemistry workflows.

Application

4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one serves as a versatile building block in the synthesis of biologically active indenone derivatives. Its bromine and methoxy substituents enable selective cross-coupling reactions and functional group transformations, while the ketone moiety facilitates nucleophilic additions and cyclizations. The compound exhibits good bench stability and is compatible with standard synthetic workflows, making it a practical intermediate for medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Meyer; DeBernardis; Hancock Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 105 - 112
  • Route2

    References

    • Meyer; DeBernardis; Hancock Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 105 - 112
  • Route3
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      77-78-1
    • ~%
    • In-stock
      4-Bromo-7-methoxy-2,3-dihydro-1H-inden-1-one|CS-0140242
      5411-61-0

    References

    • Barnes; Kraft; Gordon Journal of the American Chemical Society, 1949 , vol. 71, p. 3523,3527

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H401-H411
Precautionary Statements : P264-P270-P273-P391-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5866
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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