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CS-W001157 4
Total: USD 88.00

3-Methoxycyclohex-2-en-1-one

  • CAS No. 16807-60-6

  • Cat. No. CS-0100011
  • Purity≥96%
  • MDL No.MFCD00236366

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

3-Methoxycyclohex-2-en-1-one|CS-0100011

Structure of 16807-60-6

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General Information

  • CAS No. 16807-60-6
  • Cat. No. CS-0100011
  • Purity ≥96%
  • MDL No. MFCD00236366
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) 3-Methoxycyclohex-2-enone
  • SMILES COC(CCC1)=CC1=O

Application

3-Methoxycyclohex-2-en-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane derivatives. Its conjugated enone system facilitates Michael additions and electrophilic transformations, while the methoxy group provides orthogonal reactivity for selective modifications. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • ~97%
    • In-stock
      3-Methoxycyclohex-2-en-1-one|CS-0100011
      16807-60-6

    References

    • Mansilla, Horacio; Afonso, Maria M. Synthetic Communications, 2008 , vol. 38, # 15 p. 2607 - 2618
  • Route2
    • In-stock
      Cyclohexane-1,3-dione|CS-W007466
      504-02-9
    • null|null
      149-73-5
    • ~97%
    • In-stock
      3-Methoxycyclohex-2-en-1-one|CS-0100011
      16807-60-6

    References

    • Van Der Klei, Anita; De Jong, Robertus L. P.; Lugtenburg, Johan; Tielens, Aloysius G. M. European Journal of Organic Chemistry, 2002 , # 17 p. 3015 - 3023
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 109, p. 5213

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 : P210-P261-P264-P271-P280-P302+P352-P304+P340-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.2697
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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