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CS-W001157 4
Total: USD 88.00

4-Phenyl-2-pyrrolidinone

  • CAS No. 1198-97-6

  • Cat. No. CS-W018637
  • Purity≥98%
  • MDL No.MFCD01687226

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

4-Phenyl-2-pyrrolidinone|CS-W018637

Structure of 1198-97-6

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General Information

  • CAS No. 1198-97-6
  • Cat. No. CS-W018637
  • Purity ≥98%
  • MDL No. MFCD01687226
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) None
  • SMILES O=C1NCC(C2=CC=CC=C2)C1

Description

4-Phenyl-2-pyrrolidinone is a versatile heterocyclic scaffold featuring a conjugated phenyl ring fused to a pyrrolidinone core. This structure imparts enhanced stability and tunable electronic properties, enabling its use in medicinal chemistry and materials science. The compound integrates readily into complex molecular architectures under standard conditions.

Application

4-Phenyl-2-pyrrolidinone serves as a versatile scaffold in medicinal chemistry, enabling efficient construction of bioactive heterocycles. Its stability and functional group tolerance facilitate direct use in amide couplings, nucleophilic additions, and transition-metal-catalyzed transformations. The molecule functions as a key building block for pyrrolidine-based pharmaceuticals and exhibits favorable solubility and handling characteristics for routine bench-scale synthesis.

Synthesis

  • Route1
    • Methyl 4-nitro-3-phenylbutanoate|CS-0257251
      34687-03-1
    • ~72%
    • In-stock
      4-Phenyl-2-pyrrolidinone|CS-W018637
      1198-97-6

    References

    • Naito, Takeaki; Honda, Yuko; Bhavakul, Vanida; Yamaguchi, Sayaka; Fujiwara, Azusa; Miyata, Okiko; Ninomiya, Ichiya Chemical and Pharmaceutical Bulletin, 1997 , vol. 45, # 12 p. 1932 - 1939
  • Route2
    • null|null
      866789-27-7
    • ~58%
    • In-stock
      4-Phenyl-2-pyrrolidinone|CS-W018637
      1198-97-6

    References

    • Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V. Organic and Biomolecular Chemistry, 2005 , vol. 3, # 17 p. 3140 - 3160
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 17 p. 4539 - 4544

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   29.1
  • LogP   1.2901
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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