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CS-W001157 4
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1-(4-Chlorophenyl)butan-1-one

  • CAS No. 4981-63-9

  • Cat. No. CS-0179364
  • Molecule weight182.65
  • Purity≥97%
  • MDL No.MFCD00013647

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

1-(4-Chlorophenyl)butan-1-one|CS-0179364

Structure of 4981-63-9

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General Information

  • CAS No. 4981-63-9
  • Cat. No. CS-0179364
  • Purity ≥97%
  • MDL No. MFCD00013647
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO
  • Molecular Weight 182.65
  • Synonym(s) 4-Chlorophenyl Propyl Ketone
  • SMILES CCCC(C1=CC=C(Cl)C=C1)=O

Description

1-(4-Chlorophenyl)butan-1-one is a bench-stable ketone featuring a para-chlorinated phenyl group linked via a butanoyl chain. This structure integrates a halogenated aromatic moiety with a reactive carbonyl, enabling its use in nucleophilic additions and cross-coupling reactions. The molecule's stability under standard conditions facilitates handling in synthetic workflows.

Application

1-(4-Chlorophenyl)butan-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. Its aryl ketone functionality supports standard transformations including Grignard additions, nucleophilic reductions, and Friedel–Crafts acylations. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • 1-(4-Chlorophenyl)butan-1-ol|CS-0552086
      13856-86-5
    • ~91%
    • In-stock
      1-(4-Chlorophenyl)butan-1-one|CS-0179364
      4981-63-9

    References

    • Marui, Kuniaki; Higashiura, Yuuki; Kodama, Shintaro; Hashidate, Suguru; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; Ogawa, Akiya Tetrahedron, 2014 , vol. 70, # 14 p. 2431 - 2438
  • Route2
    • null|null
      141-75-3
    • null|null
      108-90-7
    • ~83%
    • In-stock
      1-(4-Chlorophenyl)butan-1-one|CS-0179364
      4981-63-9

    References

    • Wagner, Peter J.; Sedon, James H.; Gudmundsdottir, Anna Journal of the American Chemical Society, 1996 , vol. 118, # 4 p. 746 - 754
  • Route3
    • In-stock
      1-Chloro-4-iodobenzene|CS-W007395
      637-87-6
    • null|null
      102-82-9
    • ~30%
    • In-stock
      1-(4-Chlorophenyl)butan-1-one|CS-0179364
      4981-63-9

    References

    • Liu, Yan; Yao, Bo; Deng, Chen-Liang; Tang, Ri-Yuan; Zhang, Xing-Guo; Li, Jin-Heng Organic Letters, 2011 , vol. 13, # 9 p. 2184 - 2187

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
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   17.07
  • LogP   3.3228
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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