Cas no 31840-13-8 (4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid)

4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid is a pyrrole derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its structural features, including the hydroxymethyl and ethyl substituents, enhance its reactivity in heterocyclic chemistry, particularly in the construction of complex pyrrole-based frameworks. The compound's stability and solubility in polar solvents facilitate its use in coupling reactions and as a precursor for bioactive molecules. Its well-defined molecular structure allows for precise modifications, making it valuable in medicinal chemistry for the development of novel therapeutic agents. The product is typically supplied with high purity, ensuring consistent performance in research applications.
4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid structure
31840-13-8 structure
Product Name:4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid
CAS No:31840-13-8
MF:C9H13NO3
MW:183.204422712326
CID:823533
Update Time:2026-04-29

4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid
    • Inchi: InChI=1S/C9H13NO3/c1-3-6-5(2)8(9(12)13)10-7(6)4-11/h10-11H,3-4H2,1-2H3,(H,12,13)
    • InChI Key: KUQBWVKJYBNIQJ-UHFFFAOYSA-N
    • SMILES: CCC1=C(CO)NC(=C1C)C(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3

4-Ethyl-5-(hydroxymethyl)-3-methyl-1H-pyrrole-2-carboxylic acid Pricemore >>

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