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Methyl4-oxo-1-phenylcyclohexane-1-carboxylate

  • CAS No. 75945-90-3

  • Cat. No. CS-0172493
  • Molecule weight232.28
  • Purity≥97%
  • MDL No.None

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

Methyl4-oxo-1-phenylcyclohexane-1-carboxylate|CS-0172493

Structure of 75945-90-3

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General Information

  • CAS No. 75945-90-3
  • Cat. No. CS-0172493
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆O₃
  • Molecular Weight 232.28
  • Synonym(s) Methyl-4-oxo-1-phenylcyclohexancarboxylat
  • SMILES COC(=O)C1(CCC(=O)CC1)C2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      67-56-1
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4
    • ~97%
    • Methyl4-oxo-1-phenylcyclohexane-1-carboxylate|CS-0172493
      75945-90-3

    References

    • Castro Pineiro, Jose Luis; Dinnell, Kevin; Elliott, Jason Matthew; Hollingworth, Gregory John; Shaw, Duncan Edward; Swain, Christopher John Patent: US2003/236250 A1, 2003 ; Location in patent: Page 20 ;
  • Route2
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4
    • null|null
      74-88-4
    • ~%
    • Methyl4-oxo-1-phenylcyclohexane-1-carboxylate|CS-0172493
      75945-90-3

    References

    • Journal of the American Chemical Society, , vol. 68, p. 828,831
  • Route3

    References

    • Archiv der Pharmazie (Weinheim, Germany), , vol. 313, # 6 p. 487 - 498

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.2405
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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