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CS-W001157 4
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3-Methyl-2-cyclohexen-1-one

  • CAS No. 1193-18-6

  • Cat. No. CS-0128362
  • Purity≥96%
  • MDL No.MFCD00001581

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

3-Methyl-2-cyclohexen-1-one|CS-0128362

Structure of 1193-18-6

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General Information

  • CAS No. 1193-18-6
  • Cat. No. CS-0128362
  • Purity ≥96%
  • MDL No. MFCD00001581
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O
  • Molecular Weight 110.16
  • Synonym(s) 3-Methyl-2-cyclohexenone
  • SMILES O=C1C=C(C)CCC1

Description

(-)-Dibenzoyl-L-tartaric acid is used as an intermediate in pharmaceutical and agro chemical industries. It is used as chiral auxiliary in organic synthesis and as a resolution agent in the synthesis of rameleton.

Application

3-Methyl-2-cyclohexenone serves as a versatile Michael acceptor and Diels-Alder dienophile, enabling efficient construction of substituted cyclohexane scaffolds. Its α,β-unsaturated enone functionality exhibits high reactivity in nucleophilic additions and conjugate functionalizations, with bench-stable crystalline form facilitating handling and purification. Widely employed in natural product synthesis and heterocycle formation, it functions reliably in standard organic transformations.

Synthesis

  • Route1

    References

    • Hanson, Susan K.; Wu, Ruilian; Silks, L. A. Pete Organic Letters, 2011 , vol. 13, # 8 p. 1908 - 1911
  • Route2
    • null|null
      2396-63-6
    • ~87%
    • In-stock
      3-Methyl-2-cyclohexen-1-one|CS-0128362
      1193-18-6

    References

    • Chen, Zheng-Wang; Ye, Dong-Nai; Qian, Yi-Ping; Ye, Min; Liu, Liang-Xian Tetrahedron, 2013 , vol. 69, # 30 p. 6116 - 6120
  • Route3

    References

    • Catino, Arthur J.; Forslund, Raymond E.; Doyle, Michael P. Journal of the American Chemical Society, 2004 , vol. 126, # 42 p. 13622 - 13623

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   17.07
  • LogP   1.6857
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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