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CS-W001157 4
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3-(2,4-Dimethyl-1H-pyrrol-3-yl)propanoic acid

  • CAS No. 54474-50-9

  • Cat. No. CS-W001847
  • Molecule weight167.21
  • Purity≥95%
  • MDL No.MFCD02684431

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

3-(2,4-Dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-W001847

Structure of 54474-50-9

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General Information

  • CAS No. 54474-50-9
  • Cat. No. CS-W001847
  • Purity ≥95%
  • MDL No. MFCD02684431
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂
  • Molecular Weight 167.21
  • Synonym(s) 2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID
  • SMILES OC(=O)CCc1c(C)c[nH]c1C

Synthesis

  • Route1
    • Ethyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0151851
      2386-37-0
    • ~79%
    • 3-(2,4-Dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-W001847
      54474-50-9

    References

    • Paine, John B.; Hiom, John; Dolphin, David Journal of Organic Chemistry, 1988 , vol. 53, # 12 p. 2796 - 2802
  • Route2

    References

    • Sugen, Inc. Patent: US6878733 B1, 2005 ; Location in patent: Page/Page column 213-214 ; US 6878733 B1
  • Route3
    • null|null
      51912-00-6
    • ~%
    • 3-(2,4-Dimethyl-1H-pyrrol-3-yl)propanoic acid|CS-W001847
      54474-50-9

    References

    • Journal of the Chemical Society, , p. 4176,4182

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

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   1.64874
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   3

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