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CS-W001157 4
Total: USD 88.00

2-Acetylcyclohexane-1,3-dione

  • CAS No. 4056-73-9

  • Cat. No. CS-0060856
  • Purity≥98%
  • MDL No.None

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

2-Acetylcyclohexane-1,3-dione|CS-0060856

Structure of 4056-73-9

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General Information

  • CAS No. 4056-73-9
  • Cat. No. CS-0060856
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₃
  • Molecular Weight 154.16
  • Synonym(s) 2-Acetyl-1,3-cyclohexanedione
  • SMILES CC(=O)C1C(=O)CCCC1=O

Description

2-Acetylcyclohexane-1,3-dione features a conjugated diketone system flanked by a ketone-substituted cyclohexane ring, enabling participation in Diels-Alder reactions and enolate-mediated transformations. This bench-stable, moisture-tolerant compound integrates readily into complex molecular architectures.

Synthesis

  • Route1
    • 3-Oxocyclohex-1-en-1-yl acetate|CS-0227443
      57918-73-7
    • ~59%
    • In-stock
      2-Acetylcyclohexane-1,3-dione|CS-0060856
      4056-73-9

    References

    • ADDEX PHARMA S.A.; BOLEA, Christelle; SYLVAIN, Celanire Patent: WO2010/79238 A1, 2010 ; Location in patent: Page/Page column 31 ; WO 2010/079238 A1
  • Route2

    References

    • Wojtkowski, Paul Walter Patent: US2002/49317 A1, 2002 ;
  • Route3
    • null|null
      108-24-7
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • ~90%
    • In-stock
      2-Acetylcyclohexane-1,3-dione|CS-0060856
      4056-73-9

    References

    • Lim, Sunkwon; Min, Yosep; Choi, Bohyun; Kim, Daesig; Yoon, Il; Lee, Shim Sung; Lee, Ik-Mo Tetrahedron Letters, 2001 , vol. 42, # 43 p. 7645 - 7649

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   0.5137
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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