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CS-W001157 4
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4,4-Dimethyl-2-cyclohexen-1-one

  • CAS No. 1073-13-8

  • Cat. No. CS-0128266
  • Purity≥95%
  • MDL No.MFCD00009695

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

4,4-Dimethyl-2-cyclohexen-1-one|CS-0128266

Structure of 1073-13-8

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General Information

  • CAS No. 1073-13-8
  • Cat. No. CS-0128266
  • Purity ≥95%
  • MDL No. MFCD00009695
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O
  • Molecular Weight 124.18
  • Synonym(s) 4,4-Dimethylcyclohex-2-enone; 4,4-Dimethyl-2-cyclohexen-1-one
  • SMILES O=C1C=CC(C)(C)CC1

Description

4,4-Dimethyl-2-cyclohexen-1-one features a conjugated enone system flanked by two methyl groups at the quaternary carbon, enhancing steric protection and thermal stability. This electron-deficient alkene integrates readily into Diels-Alder reactions and serves as a robust building block for complex terpenoid frameworks under standard conditions.

Synthesis

  • Route1

    References

    • Uyanik, Muhammet; Akakura, Matsujiro; Ishihara, Kazuaki Journal of the American Chemical Society, 2009 , vol. 131, p. 251 - 262
  • Route2
    • null|null
      78-94-4
    • null|null
      78-84-2
    • ~74%
    • In-stock
      4,4-Dimethyl-2-cyclohexen-1-one|CS-0128266
      1073-13-8

    References

    • Romanski, Steffen; Kraus, Birgit; Guttentag, Miguel; Schlundt, Waldemar; Ruecker, Hannelore; Adler, Andreas; Neudoerfl, Joerg-Martin; Alberto, Roger; Amslinger, Sabine; Schmalz, Hans-Guenther Dalton Transactions, 2012 , vol. 41, # 45 p. 13862 - 13875
  • Route3
    • null|null
      501443-29-4
    • ~10%
    • In-stock
      4,4-Dimethyl-2-cyclohexen-1-one|CS-0128266
      1073-13-8

    References

    • Winska, Katarzyna; Grudniewska, Aleksandra; Chojnacka, Anna; Bialonska, Agata; Wawrzenczyk, Czeslaw Tetrahedron Asymmetry, 2010 , vol. 21, # 6 p. 670 - 678

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.9317
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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