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CS-W001157 4
Total: USD 88.00

Methyl 5-methyl-1H-pyrrole-2-carboxylate

  • CAS No. 1194-97-4

  • Cat. No. CS-0153100
  • Purity≥95%
  • MDL No.MFCD13182371

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

Methyl 5-methyl-1H-pyrrole-2-carboxylate|CS-0153100

Structure of 1194-97-4

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General Information

  • CAS No. 1194-97-4
  • Cat. No. CS-0153100
  • Purity ≥95%
  • MDL No. MFCD13182371
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂
  • Molecular Weight 139.15
  • Synonym(s) 5-methyl-1H-Pyrrole-2-carboxylic acid methyl ester
  • SMILES CC1=CC=C(C(=O)OC)N1

Description

Methyl 5-methyl-1H-pyrrole-2-carboxylate features a pyrrole core with strategically positioned methyl and ester groups, enabling direct incorporation into complex heterocyclic architectures. This bench-stable, moisture-tolerant reagent integrates efficiently in transition-metal-catalyzed couplings and serves as a key building block for bioactive nitrogen-containing compounds.

Application

Methyl 5-methyl-1H-pyrrole-2-carboxylate serves as a versatile heterocyclic building block in synthetic organic chemistry, enabling efficient access to substituted pyrroles via cross-coupling, electrophilic substitution, and functional group interconversion. The methyl ester facilitates downstream derivatization, while the 5-methyl substituent enhances stability and modulates reactivity. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      1000682-45-0
    • ~95%
    • In-stock
      Methyl 5-methyl-1H-pyrrole-2-carboxylate|CS-0153100
      1194-97-4

    References

    • Farney, Elliot P.; Yoon, Tehshik P. Angewandte Chemie - International Edition, 2014 , vol. 53, # 3 p. 793 - 797
  • Route2
    • null|null
      116635-17-7
    • ~73%
    • In-stock
      Methyl 5-methyl-1H-pyrrole-2-carboxylate|CS-0153100
      1194-97-4
    • null|null
      116635-22-4
    • null|null
      116635-21-3

    References

    • Ueda; Chuang; Crast; Partyka Journal of Organic Chemistry, 1988 , vol. 53, # 21 p. 5107 - 5113
  • Route3

    References

    • Kaiser, Hans-Peter; Muchowski, Joseph M. Journal of Organic Chemistry, 1984 , vol. 49, # 22 p. 4203 - 4209

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   42.09
  • LogP   1.10972
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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