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CS-W001157 4
Total: USD 88.00

1-Phenylcyclopropanecarboxylic acid

  • CAS No. 6120-95-2

  • Cat. No. CS-W007443
  • Purity≥98%
  • MDL No.MFCD00001288

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

1-Phenylcyclopropanecarboxylic acid|CS-W007443

Structure of 6120-95-2

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General Information

  • CAS No. 6120-95-2
  • Cat. No. CS-W007443
  • Purity ≥98%
  • MDL No. MFCD00001288
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 1-phenylcyclopropanecarboxylate
  • SMILES OC(=O)C1(CC1)C1=CC=CC=C1

Description

1-Phenyl-1-cyclopropanecarboxylic acid was used in the preparation of bis[(1-phenyl-1-cyclopropyl)carbonyl] peroxide via reaction with hydrogen peroxide in the presence of N,N-dicyclohexylcarbodiimide.

Application

1-Phenylcyclopropanecarboxylic acid serves as a valuable chiral building block in medicinal chemistry, offering a rigid, strained cyclopropane scaffold with defined stereochemistry. Its carboxylic acid functionality enables direct derivatization into amides, esters, and acyl chlorides, facilitating downstream coupling reactions. The molecule exhibits good bench stability and functional group tolerance, supporting its use in multistep syntheses of bioactive compounds and heterocyclic scaffolds.

Synthesis

  • Route1

    References

    • Mndzhoyan, Sh. L.; Tsinker, M. G.; Ovakimyan, A. R.; Ter-Zakharyan, Yu. Z.; Kazaryan, E. V.; Paronikyan, R. V. Pharmaceutical Chemistry Journal, 1980 , vol. 14, # 2 p. 114 - 118 Khimiko-Farmatsevticheskii Zhurnal, 1980 , vol. 14, # 2 p. 40 - 45
  • Route2

    References

    • Zhao; Li; Mano; Song; Tschaen; Grabowski; Reider Journal of Organic Chemistry, 1999 , vol. 64, # 7 p. 2564 - 2566
  • Route3
    • null|null
      103-82-2
    • null|null
      106-93-4
    • ~73%
    • In-stock
      1-Phenylcyclopropanecarboxylic acid|CS-W007443
      6120-95-2

    References

    • Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy Tetrahedron Letters, 2005 , vol. 46, # 4 p. 635 - 638

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   37.3
  • LogP   1.8028
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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