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CS-W001157 4
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1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one

  • CAS No. 2386-25-6

  • Cat. No. CS-0128744
  • Purity≥98%
  • MDL No.MFCD00005221

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

1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one|CS-0128744

Structure of 2386-25-6

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General Information

  • CAS No. 2386-25-6
  • Cat. No. CS-0128744
  • Purity ≥98%
  • MDL No. MFCD00005221
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 3-Acetyl-2,4-dimethylpyrrole
  • SMILES CC(C1=C(C)NC=C1C)=O

Synthesis

  • Route1
    • Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate|CS-0298816
      2386-26-7
    • ~96%
    • In-stock
      1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one|CS-0128744
      2386-25-6

    References

    • Mula, Soumyaditya; Ray, Alok K.; Banerjee, Manas; Chaudhuri, Tandrima; Dasgupta, Kamalesh; Chattopadhyay, Subrata Journal of Organic Chemistry, 2008 , vol. 73, # 6 p. 2146 - 2154
  • Route2
    • null|null
      2386-27-8
    • ~%
    • In-stock
      1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one|CS-0128744
      2386-25-6

    References

    • Journal of the Chemical Society, , p. 4254 Org. Synth. Coll. Vol. V. <1973> 1022
  • Route3
    • null|null
      917-54-4
    • null|null
      231609-66-8
    • ~9%
    • In-stock
      1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethan-1-one|CS-0128744
      2386-25-6

    References

    • Alberola, Angel; Ortega, Alfonso Gonzalez; Sadaba, M. Luisa; Sanudo, Carmen Tetrahedron, 1999 , vol. 55, # 21 p. 6555 - 6566

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
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

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Computational Chemistry Data

  • TPSA   32.86
  • LogP   1.83414
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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