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CS-W001157 4
Total: USD 88.00

3-Penten-2-one

  • CAS No. 625-33-2

  • Cat. No. CS-0022376
  • Purity≥96%
  • MDL No.MFCD00009290

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

3-Penten-2-one|CS-0022376

Structure of 625-33-2

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General Information

  • CAS No. 625-33-2
  • Cat. No. CS-0022376
  • Purity ≥96%
  • MDL No. MFCD00009290
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O
  • Molecular Weight 84.12
  • Synonym(s) Ethylideneacetone; (3Z)-pent-3-en-2-one
  • SMILES CC(/C=C/C)=O

Description

Urinary excretion of 3-penten-2-one (CAS 625-33-2) correlates with acetaldehyde accumulation under metabolic stress, reflecting altered oxidative pathways in Aronia melanocarpa genotypes.

Application

3-Penten-2-one (CAS 625-33-2) drives the construction of complex alkaloid frameworks through its strategic incorporation into the synthesis of (+/-)-senepodine G and (+/-)-cermizine C. It acts as a key building block in multi-step cyclization cascades. Researchers leverage this reactivity to generate intricate nitrogen-containing scaffolds with high stereocontrol.

Synthesis

  • Route1
    • 3-Penten-2-ol,97% mixture of cis/trans|CS-0187943
      1569-50-2
    • ~71%
    • In-stock
      3-Penten-2-one|CS-0022376
      625-33-2

    References

    • Hossain, Md. Munkir; Shyu, Shin-Guang Advanced Synthesis and Catalysis, 2010 , vol. 352, # 17 p. 3061 - 3068
  • Route2
    • 4-Hydroxy-6-methyl-5,6-dihydro-2h-pyran-2-one|CS-0348744
      33177-29-6
    • ~59%
    • In-stock
      3-Penten-2-one|CS-0022376
      625-33-2

    References

    • Dumesic, James A.; Chia, Mei Patent: US2012/116119 A1, 2012 ; Location in patent: Page/Page column 6 ;
  • Route3
    • Pent-3-yn-2-one|CS-0245459
      7299-55-0
    • ~%
    • In-stock
      3-Penten-2-one|CS-0022376
      625-33-2

    References

    • Angewandte Chemie - International Edition, , vol. 46, # 44 p. 8471 - 8474

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 1992
Class : 3 (6.1)
Packing Group : Ⅱ
Hazard Statements : H225-H311-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P361+P364-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.1515
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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