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CS-W001157 4
Total: USD 88.00

2-(1H-Pyrrol-3-yl)acetic acid

  • CAS No. 86688-96-2

  • Cat. No. CS-0043321
  • Molecule weight125.13
  • Purity≥97%
  • MDL No.MFCD09800534

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

2-(1H-Pyrrol-3-yl)acetic acid|CS-0043321

Structure of 86688-96-2

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General Information

  • CAS No. 86688-96-2
  • Cat. No. CS-0043321
  • Purity ≥97%
  • MDL No. MFCD09800534
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₂
  • Molecular Weight 125.13
  • Synonym(s) 1H-Pyrrole-3-aceticacid(9CI)
  • SMILES O=C(O)CC1=CNC=C1

Synthesis

  • Route1
    • Methyl 2-(1-tosyl-1H-pyrrol-3-yl)acetate|CS-1707177
      138779-98-3
    • ~94%
    • 2-(1H-Pyrrol-3-yl)acetic acid|CS-0043321
      86688-96-2

    References

    • Serra Moreno, Judith; Agas, Dimitrios; Sabbieti, Maria Giovanna; Di Magno, Matteo; Migliorini, Antonella; Loreto, M. Antonietta European Journal of Medicinal Chemistry, 2012 , vol. 57, p. 391 - 397
  • Route2
    • null|null
      86688-97-3
    • ~71%
    • 2-(1H-Pyrrol-3-yl)acetic acid|CS-0043321
      86688-96-2

    References

    • Kakushima, Masatoshi; Hamel, Pierre; Frenette, Richard; Rokach, Joshua Journal of Organic Chemistry, 1983 , vol. 48, # 19 p. 3214 - 3219
  • Route3

    References

    • Synthetic Communications, , vol. 26, # 7 p. 1289 - 1304

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   0.6418
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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