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CS-W001157 4
Total: USD 88.00

1-(3-Cyclopropylphenyl)ethanone

  • CAS No. 408359-52-4

  • Cat. No. CS-0186240
  • Molecule weight160.21
  • Purity≥98%
  • MDL No.None

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

1-(3-Cyclopropylphenyl)ethanone|CS-0186240

Structure of 408359-52-4

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General Information

  • CAS No. 408359-52-4
  • Cat. No. CS-0186240
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) Ethanone, 1-(3-cyclopropylphenyl)- (9CI)
  • SMILES CC(=O)C1=CC(=CC=C1)C2CC2

Description

1-(3-Cyclopropylphenyl)ethanone features a cyclopropyl-substituted aromatic ring linked to a ketone functional group, delivering enhanced lipophilicity and metabolic stability. This scaffold integrates readily into medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors. The sterically constrained cyclopropyl moiety imparts conformational rigidity, improving binding affinity in target-directed synthesis.

Application

1-(3-Cyclopropylphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive scaffolds through standard carbonyl transformations. Its cyclopropyl-substituted aryl ketone functionality offers enhanced metabolic stability and tunable lipophilicity. The compound exhibits excellent bench stability, facilitates straightforward purification, and participates reliably in nucleophilic additions, reductions, and coupling reactions under routine laboratory conditions.

Synthesis

  • Route1
    • 2-(3-Bromophenyl)-2-methyl-1,3-dioxolane|CS-0193439
      39172-32-2
    • null|null
      23719-80-4
    • ~71%
    • In-stock
      1-(3-Cyclopropylphenyl)ethanone|CS-0186240
      408359-52-4

    References

    • Chu, Xin-Jie; Ding, Qingjie; Jiang, Nan; Kim, Kyungjin; Lovey, Allen John; McComas, Warren William; Mullin JR., John Guilfoyle; Tilley, Jefferson Wright Patent: US2004/6058 A1, 2004 ; Location in patent: Page/Page column 29 ; US 20040006058 A1
  • Route2

    References

    • Zhang, Min; Cui, Xiuling; Chen, Xiaopei; Wang, Lianhui; Li, Jingya; Wu, Yusheng; Hou, Lifen; Wu, Yangjie Tetrahedron, 2012 , vol. 68, # 3 p. 900 - 905

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.7666
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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