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CS-W001157 4
Total: USD 88.00

5-(4-Methylphenyl)cyclohexane-1,3-dione

  • CAS No. 61888-37-7

  • Cat. No. CS-D0081
  • Molecule weight202.25
  • Purity≥98%
  • MDL No.MFCD00111717

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

5-(4-Methylphenyl)cyclohexane-1,3-dione|CS-D0081

Structure of 61888-37-7

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General Information

  • CAS No. 61888-37-7
  • Cat. No. CS-D0081
  • Purity ≥98%
  • MDL No. MFCD00111717
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₂
  • Molecular Weight 202.25
  • Synonym(s) 5-(4-methylphenyl)-1,3-cyclohexanedione
  • SMILES O=C1CC(CC(C2=CC=C(C)C=C2)C1)=O

Description

5-(4-Methylphenyl)cyclohexane-1,3-dione features a conjugated diketone core with a para-methylphenyl substituent, enabling robust participation in enolization-driven reactions. This electron-deficient scaffold integrates readily into synthetic cascades and serves as a key intermediate for functionalized cyclohexanoid architectures.

Application

5-(4-Methylphenyl)cyclohexane-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted cyclohexanone derivatives and heterocyclic scaffolds. Its diketone functionality supports facile enolization and nucleophilic addition reactions, while the para-methylphenyl group provides steric and electronic modulation. The compound exhibits excellent bench stability and compatibility with standard purification techniques, facilitating its use in multi-step syntheses and medicinal chemistry campaigns.

Synthesis

  • Route1
    • (E)-4-(p-Tolyl)but-3-en-2-one|CS-0274625
      4023-84-1
    • ~%
    • In-stock
      5-(4-Methylphenyl)cyclohexane-1,3-dione|CS-D0081
      61888-37-7

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 19 p. 3429 - 3447
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 19 p. 3429 - 3447
  • Route3
    • (E)-4-(p-Tolyl)but-3-en-2-one|CS-0274625
      4023-84-1
    • null|null
      105-53-3
    • ~%
    • In-stock
      5-(4-Methylphenyl)cyclohexane-1,3-dione|CS-D0081
      61888-37-7

    References

    • Journal of Medicinal Chemistry, , vol. 20, p. 709 - 714

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.40072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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