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CS-W001157 4
Total: USD 88.00

4-Chlorobutan-2-one

  • CAS No. 6322-49-2

  • Cat. No. CS-W022162
  • Purity≥97%
  • MDL No.MFCD00037116

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

4-Chlorobutan-2-one|CS-W022162

Structure of 6322-49-2

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General Information

  • CAS No. 6322-49-2
  • Cat. No. CS-W022162
  • Purity ≥97%
  • MDL No. MFCD00037116
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇ClO
  • Molecular Weight 106.55
  • Synonym(s) 4-Chloro-2-butanone
  • SMILES CC(CCCl)=O

Description

4-Chlorobutan-2-one is a chlorinated ketone featuring a β-chloro carbonyl motif, enabling direct participation in nucleophilic substitution and conjugate addition reactions. This electrophilic scaffold integrates readily into synthetic sequences requiring selective C–C bond formation under mild conditions.

Application

4-Chlorobutan-2-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-chloro ketones and related heterocyclic scaffolds. Its α-halo carbonyl functionality facilitates nucleophilic substitution, enolate formation, and cyclization reactions under mild conditions. The compound exhibits good bench stability and is compatible with a range of functional groups, making it suitable for multi-step synthesis and process development in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Simon, Robert C.; Grischek, Barbara; Zepeck, Ferdinand; Steinreiber, Andreas; Belaj, Ferdinand; Kroutil, Wolfgang Angewandte Chemie - International Edition, 2012 , vol. 51, # 27 p. 6713 - 6716
  • Route2
    • null|null
      78-94-4
    • ~95%
    • In-stock
      4-Chlorobutan-2-one|CS-W022162
      6322-49-2

    References

    • Boudjouk, Philip; Kim, Beon-Kyu; Han, Byung-Hee Synthetic Communications, 1996 , vol. 26, # 18 p. 3479 - 3484
  • Route3
    • null|null
      54509-73-8
    • null|null
      75-36-5
    • ~71%
    • In-stock
      4-Chlorobutan-2-one|CS-W022162
      6322-49-2

    References

    • Just, George; Crosilla, Danilo Canadian Journal of Chemistry, 1980 , vol. 58, # 22 p. 2349 - 2357

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H302-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P302+P352-P330-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.2043
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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