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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one

  • CAS No. 4030-22-2

  • Cat. No. CS-0077054
  • Purity95+%
  • MDL No.None

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

3,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one|CS-0077054

Structure of 4030-22-2

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General Information

  • CAS No. 4030-22-2
  • Cat. No. CS-0077054
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NO
  • Molecular Weight 111.14
  • Synonym(s) 3,4-DIMETHYL-2,5-DIHYDRO-1H-PYRROL-2-ONE
  • SMILES O=C1NCC(C)=C1C

Synthesis

  • Route1
    • 3,4-Dimethyl-1H-pyrrole|CS-0051606
      822-51-5
    • ~96%
    • 3,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one|CS-0077054
      4030-22-2

    References

    • Roth, Steven D.; Shkindel, Tetyana; Lightner, David A. Tetrahedron, 2007 , vol. 63, # 45 p. 11030 - 11039
  • Route2
    • 3,4-Dimethyl-1H-pyrrole-2-carbaldehyde|CS-0051605
      19713-89-4
    • ~50%
    • 3,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one|CS-0077054
      4030-22-2

    References

    • Coffin, Aaron R.; Roussell, Michael A.; Tserlin, Elina; Pelkey, Erin T. Journal of Organic Chemistry, 2006 , vol. 71, # 17 p. 6678 - 6681
  • Route3

    References

    • Roth, Steven D.; Shkindel, Tetyana; Lightner, David A. Tetrahedron, 2007 , vol. 63, # 45 p. 11030 - 11039

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.4526
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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