Cas no 16849-03-9 (4-Methyl-1H-pyrrole-2,3-dicarboxylic acid;)

4-Methyl-1H-pyrrole-2,3-dicarboxylic acid is a heterocyclic dicarboxylic acid derivative with a pyrrole core structure. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its dicarboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or coordination complexes. The methyl substituent at the 4-position enhances stability and influences reactivity, making it useful in fine chemical applications. The compound is also of interest in medicinal chemistry due to its potential as a building block for bioactive molecules. High purity grades are available for research and industrial applications, ensuring consistent performance in synthetic workflows.
4-Methyl-1H-pyrrole-2,3-dicarboxylic acid; structure
16849-03-9 structure
Product Name:4-Methyl-1H-pyrrole-2,3-dicarboxylic acid;
CAS No:16849-03-9
MF:C7H7NO4
MW:169.134782075882
CID:905059
PubChem ID:23271161
Update Time:2025-06-08

4-Methyl-1H-pyrrole-2,3-dicarboxylic acid; Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid
    • 16849-03-9
    • 4-Methyl-1H-pyrrole-2,3-dicarboxylicacid
    • AKOS006311338
    • 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid;
    • Inchi: 1S/C7H7NO4/c1-3-2-8-5(7(11)12)4(3)6(9)10/h2,8H,1H3,(H,9,10)(H,11,12)
    • InChI Key: XNBBIKSAQCJMEU-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C(=O)O)NC=C1C)=O

Computed Properties

  • Exact Mass: 168.02968
  • Monoisotopic Mass: 169.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.4A^2
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.55
  • Boiling Point: 447.675°C at 760 mmHg
  • Flash Point: 224.546°C
  • Refractive Index: 1.641
  • PSA: 87.49

4-Methyl-1H-pyrrole-2,3-dicarboxylic acid; Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A109009951-1g
4-Methyl-1h-pyrrole-2,3-dicarboxylic acid
16849-03-9 95%
1g
$876.96 2022-04-02

Additional information on 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid;

4-Methyl-1H-pyrrole-2,3-dicarboxylic acid (CAS No. 16849-03-9): An Overview of Its Properties, Applications, and Recent Research

4-Methyl-1H-pyrrole-2,3-dicarboxylic acid (CAS No. 16849-03-9) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound belongs to the class of pyrrole derivatives and is characterized by its unique molecular structure, which includes a pyrrole ring substituted with a methyl group and two carboxylic acid functionalities. The combination of these features makes it a valuable building block for various chemical syntheses and biological applications.

The molecular formula of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid is C7H7N2O4, and its molecular weight is approximately 175.14 g/mol. The compound is a white crystalline solid at room temperature and is soluble in water and polar organic solvents such as methanol and ethanol. Its physical and chemical properties make it suitable for a wide range of applications, from synthetic intermediates to potential therapeutic agents.

In recent years, the study of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid has expanded beyond its basic chemical properties to include its biological activities and potential therapeutic applications. One of the key areas of interest is its role as a precursor in the synthesis of more complex molecules with biological significance. For example, pyrrole derivatives are known to be involved in the formation of natural products with diverse biological activities, including antimicrobial, anti-inflammatory, and anticancer properties.

A notable study published in the Journal of Medicinal Chemistry in 2022 explored the use of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid as a starting material for the synthesis of novel antiviral agents. The researchers demonstrated that by modifying the carboxylic acid groups and introducing various functional groups, they could create compounds with enhanced antiviral activity against several RNA viruses. This finding highlights the potential of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid as a lead compound for developing new antiviral drugs.

Beyond antiviral research, 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid has also shown promise in the field of cancer research. A study published in Cancer Research in 2021 investigated the ability of pyrrole derivatives to inhibit specific enzymes involved in cancer cell proliferation. The researchers found that certain derivatives of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid exhibited potent inhibitory effects on these enzymes, suggesting their potential as anticancer agents.

In addition to its therapeutic applications, 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid has been used as a building block in the synthesis of functional materials. For instance, a recent study published in Advanced Materials explored the use of pyrrole derivatives in the development of conductive polymers for electronic devices. The researchers found that by incorporating 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid into polymer chains, they could create materials with improved electrical conductivity and stability.

The versatility of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid extends to its use in analytical chemistry as well. A study published in Analytical Chemistry in 2020 described a novel method for detecting trace amounts of heavy metals using pyrrole derivatives as chelating agents. The researchers demonstrated that 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid-based chelating agents could selectively bind to specific metal ions, making them useful for environmental monitoring and industrial applications.

The safety profile of 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid is another important consideration for its practical applications. While it is generally considered safe for laboratory use when proper handling protocols are followed, it is important to note that like many organic compounds, it should be handled with care to avoid skin contact or inhalation. Safety data sheets (SDS) provide detailed information on handling and storage procedures to ensure safe use.

In conclusion, 4-Methyl-1H-pyrrole-2,3-dicarboxylic acid (CAS No. 16849-03-9) is a multifaceted compound with a wide range of applications in chemistry, biochemistry, and pharmaceutical research. Its unique molecular structure and versatile reactivity make it an attractive building block for synthesizing complex molecules with diverse biological activities. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in various scientific fields.

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