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CS-W001157 4
Total: USD 88.00

3-(2-Oxo-1-phenylcyclohexyl)propanoic acid

  • CAS No. 2819-68-3

  • Cat. No. CS-0333372
  • Purity95+%
  • MDL No.None

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

3-(2-Oxo-1-phenylcyclohexyl)propanoic acid|CS-0333372

Structure of 2819-68-3

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General Information

  • CAS No. 2819-68-3
  • Cat. No. CS-0333372
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₈O₃
  • Molecular Weight 246.30
  • Synonym(s) None
  • SMILES C1=CC=C(C=C1)C2(CCCCC2=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      32231-10-0
    • ~85%
    • 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid|CS-0333372
      2819-68-3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; DAS, Jagabandhu; KO, Soo Sung Patent: WO2012/40532 A1, 2012 ; Location in patent: Page/Page column 36-37 ; WO 2012/040532 A1
  • Route2
    • null|null
      1444-65-1
    • ~%
    • 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid|CS-0333372
      2819-68-3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; DAS, Jagabandhu; KO, Soo Sung Patent: WO2012/40532 A1, 2012 ; WO 2012/040532 A1
  • Route3
    • null|null
      13128-18-2
    • ~%
    • 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid|CS-0333372
      2819-68-3

    References

    • Fischer, Friedrich; Palitzsch, Peter Zeitschrift fuer Chemie (Stuttgart, Germany), 1982 , vol. 22, # 8 p. 309 - 310

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.9323
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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