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CS-W001157 4
Total: USD 88.00

5-Chloropentan-2-one

  • CAS No. 5891-21-4

  • Cat. No. CS-W013569
  • Purity≥97%
  • MDL No.MFCD00001008

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

5-Chloropentan-2-one|CS-W013569

Structure of 5891-21-4

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General Information

  • CAS No. 5891-21-4
  • Cat. No. CS-W013569
  • Purity ≥97%
  • MDL No. MFCD00001008
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉ClO
  • Molecular Weight 120.58
  • Synonym(s) METHYL 3-CHLOROPROPYL KETONE
  • SMILES CC(CCCCl)=O

Description

5-Chloropentan-2-one is a chlorinated ketone featuring a five-carbon chain with a chlorine atom at the terminal position and a ketone group at C-2. This molecule integrates a reactive carbonyl with an electrophilic α-halo site, enabling efficient downstream functionalization in synthetic routes. The compound exhibits good stability under standard bench conditions and demonstrates favorable solubility in common organic solvents, facilitating its use in multistep transformations.

Application

5-Chloropentan-2-one serves as a versatile acylating agent and synthetic building block in organic synthesis, enabling efficient construction of γ-chloro ketone motifs. Its functional group compatibility supports diverse transformations, including nucleophilic additions and enolate chemistry, while its bench-stable nature facilitates straightforward handling and purification in standard laboratory workflows.

Synthesis

  • Route1
    • null|null
      14267-92-6
    • ~73%
    • In-stock
      5-Chloropentan-2-one|CS-W013569
      5891-21-4

    References

    • Mizushima, Eiichiro; Hayashi, Teruyuki; Sato, Kazuhiko; Tanaka, Masato Patent: US2005/143597 A1, 2005 ; Location in patent: Page/Page column 8 ;
  • Route2
    • null|null
      14267-92-6
    • ~1%
    • In-stock
      5-Chloropentan-2-one|CS-W013569
      5891-21-4
    • null|null
      20074-80-0

    References

    • Angewandte Chemie - International Edition, , vol. 37, # 20 p. 2867 - 2869
  • Route3

    References

    • Kapustina; Sokova; Makhaev; Petrova; Nikishin Russian Chemical Bulletin, 1999 , vol. 48, # 11 p. 2080 - 2082

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302
Precautionary Statements : P210-P264-P270-P280-P330-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.5944
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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