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CS-W001157 4
Total: USD 88.00

5-Methylcyclohexane-1,3-dione

  • CAS No. 4341-24-6

  • Cat. No. CS-0130624
  • Molecule weight126.15
  • Purity≥97%
  • MDL No.MFCD00010379

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

5-Methylcyclohexane-1,3-dione|CS-0130624

Structure of 4341-24-6

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General Information

  • CAS No. 4341-24-6
  • Cat. No. CS-0130624
  • Purity ≥97%
  • MDL No. MFCD00010379
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) (5S)-3-hydroxy-5-methylcyclohex-2-en-1-one
  • SMILES O=C1CC(CC(C)C1)=O

Description

5-Methyl-1,3-cyclohexanedione has been used in the synthesis of:racemic ()-fawcettimine3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one

Synthesis

  • Route1

    References

    • Schinzer, Dieter; Fessner, Klaus; Ruppelt, Martin Liebigs Annalen der Chemie, 1992 , # 2 p. 139 - 144
  • Route2
    • null|null
      1253281-17-2
    • ~49%
    • In-stock
      5-Methylcyclohexane-1,3-dione|CS-0130624
      4341-24-6

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; VAN DER VEEN, Lars; MC CONNELL, Darryl; SCHNEIDER, Siegfried; GRAUERT, Matthias; SCHOOP, Andreas; WUNBERG, Tobias Patent: WO2010/122091 A1, 2010 ; Location in patent: Page/Page column 15 ; WO 2010/122091 A1
  • Route3
    • null|null
      28495-21-8
    • ~%
    • In-stock
      5-Methylcyclohexane-1,3-dione|CS-0130624
      4341-24-6

    References

    • Poldy, Jacqueline; Peakall, Rod; Barrow, Russell Allan Organic and Biomolecular Chemistry, 2009 , vol. 7, # 20 p. 4296 - 4300

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.9446
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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