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CS-W001157 4
Total: USD 88.00

Phorone

  • CAS No. 504-20-1

  • Cat. No. CS-W018571
  • Purity≥95%
  • MDL No.MFCD00008901

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

Phorone|CS-W018571

Structure of 504-20-1

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General Information

  • CAS No. 504-20-1
  • Cat. No. CS-W018571
  • Purity ≥95%
  • MDL No. MFCD00008901
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O
  • Molecular Weight 138.21
  • Synonym(s) Diisopropylidene acetone
  • SMILES O=C(/C=C(C)/C)/C=C(C)\C

Description

2,6-Dimethyl-2,5-heptadien-4-one features a conjugated enone system flanked by methyl groups at the 2 and 6 positions, enhancing stability and directing regioselective reactivity. This sterically hindered structure facilitates controlled Michael additions and Diels-Alder cycloadditions under mild conditions. The compound serves as a key building block in terpene synthesis and natural product scaffolds, offering predictable reactivity in complex molecule assembly.

Synthesis

  • Route1
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      507-19-7
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      67-64-1
    • ~%
    • null|null
      141-79-7
    • In-stock
      Phorone|CS-W018571
      504-20-1

    References

    • Taylor Journal of the Chemical Society, 1937 , p. 1856 Journal of the Chemical Society, 1938 , p. 841
  • Route2
    • Aluminum tert-Butoxide|CS-0214171
      556-91-2
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      67-64-1
    • null|null
      71-43-2
    • ~%
    • null|null
      141-79-7
    • In-stock
      Phorone|CS-W018571
      504-20-1

    References

    • Wayne; Adkins Journal of the American Chemical Society, 1940 , vol. 62, p. 3402
  • Route3
    • null|null
      124-38-9
    • null|null
      67-64-1
    • ~%
    • In-stock
      Isophorone|CS-0015924
      78-59-1
    • null|null
      141-79-7
    • In-stock
      Phorone|CS-W018571
      504-20-1
    • null|null
      64-19-7

    References

    • Bader Helvetica Chimica Acta, 1934 , vol. 17, p. 748

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4879
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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