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CS-W001157 4
Total: USD 88.00

4-(Dimethylamino)cyclohexanone

  • CAS No. 40594-34-1

  • Cat. No. CS-W003582
  • Purity≥95%
  • MDL No.MFCD09037892

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

4-(Dimethylamino)cyclohexanone|CS-W003582

Structure of 40594-34-1

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General Information

  • CAS No. 40594-34-1
  • Cat. No. CS-W003582
  • Purity ≥95%
  • MDL No. MFCD09037892
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅NO
  • Molecular Weight 141.21
  • Synonym(s) N,N-Dimethyl-4-oxocyclohexan-1-amine, 1-(Dimethylamino)-4-oxocyclohexane
  • SMILES CN(C1CCC(=O)CC1)C

Description

4-(Dimethylamino)cyclohexanone features a sterically hindered cyclohexanone core bearing a dimethylamino group at the para position, enabling robust nucleophilic participation in Michael additions and Mannich reactions. The electron-rich amine enhances reactivity while maintaining bench-stable handling under standard conditions.

Application

4-(Dimethylamino)cyclohexanone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to nitrogen-containing heterocycles and bioactive scaffolds. Its enolizable carbonyl group facilitates aldol and Mannich-type reactions, while the tertiary amine functions as a directing group or auxiliary in asymmetric synthesis. The compound exhibits good bench stability and is compatible with standard purification methods, making it valuable for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • N,N-Dimethyl-1,4-dioxaspiro[4.5]decan-8-amine|CS-0731659
      176661-76-0
    • ~%
    • In-stock
      4-(Dimethylamino)cyclohexanone|CS-W003582
      40594-34-1

    References

    • Guzzo, Peter R.; Buckle, Ronald N.; Chou, Ming; Dinn, Sean R.; Flaugh, Michael E.; Kiefer Jr., Anton D.; Ryter, Kendal T.; Sampognaro, Anthony J.; Tregay, Steven W.; Xu, Yao-Chang Journal of Organic Chemistry, 2003 , vol. 68, # 3 p. 770 - 778
  • Route2
    • null|null
      172216-51-2
    • ~48%
    • In-stock
      4-(Dimethylamino)cyclohexanone|CS-W003582
      40594-34-1

    References

    • Stanetty, Peter; Kasemann, Olaf; Schmid, Martin Journal of Chemical Research, Miniprint, 1995 , # 9 p. 2101 - 2110
  • Route3
    • null|null
      172216-52-3
    • ~86%
    • In-stock
      4-(Dimethylamino)cyclohexanone|CS-W003582
      40594-34-1

    References

    • Stanetty, Peter; Kasemann, Olaf; Schmid, Martin Journal of Chemical Research, Miniprint, 1995 , # 9 p. 2101 - 2110

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
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   20.31
  • LogP   1.0597
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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