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CS-W001157 4
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2-Acetyl-5,5-dimethylcyclohexane-1,3-dione

  • CAS No. 1755-15-3

  • Cat. No. CS-0198991
  • Purity≥96%
  • MDL No.None

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

2-Acetyl-5,5-dimethylcyclohexane-1,3-dione|CS-0198991

Structure of 1755-15-3

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General Information

  • CAS No. 1755-15-3
  • Cat. No. CS-0198991
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) 2-Acetyldimedone
  • SMILES CC(=O)C1C(=O)CC(C)(C)CC1=O

Description

2-Acetyl-5,5-dimethylcyclohexane-1,3-dione features a sterically hindered diketone core with a pendant acetyl group, enabling selective reactivity in heterocyclic synthesis. This bench-stable compound integrates readily into Michael addition cascades and serves as a key intermediate for bioactive ring systems.

Synthesis

  • Route1
    • 5,5-Dimethyl-3-oxocyclohex-1-en-1-yl acetate|CS-0732463
      18369-65-8
    • ~60%
    • In-stock
      2-Acetyl-5,5-dimethylcyclohexane-1,3-dione|CS-0198991
      1755-15-3

    References

    • Henning, Hans-Georg; Mazunaitis, Giedrius Monatshefte fuer Chemie, 1992 , vol. 123, # 1/2 p. 93 - 98
  • Route2
    • null|null
      108-24-7
    • In-stock
      Dimedone|CS-W016456
      126-81-8
    • ~29%
    • In-stock
      2-Acetyl-5,5-dimethylcyclohexane-1,3-dione|CS-0198991
      1755-15-3

    References

    • Henning, Hans-Georg; Mazunaitis, Giedrius Monatshefte fuer Chemie, 1992 , vol. 123, # 1/2 p. 93 - 98
  • Route3
    • In-stock
      Dimedone|CS-W016456
      126-81-8
    • null|null
      64-19-7
    • ~94%
    • In-stock
      2-Acetyl-5,5-dimethylcyclohexane-1,3-dione|CS-0198991
      1755-15-3

    References

    • Pyrko, A. N. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, p. 1981 - 1982 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 10 p. 2237 - 2238

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

Quality Control

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   1.1498
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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