Cas no 482583-71-1 (1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-)

1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-, is a versatile heterocyclic compound featuring both a formyl and a carboxylic acid functional group on a pyrrole backbone. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The presence of reactive sites allows for selective modifications, enabling the construction of complex molecular frameworks. This compound is particularly useful in medicinal chemistry for designing bioactive molecules due to its pyrrole core, which is common in many natural products and drug candidates. High purity and consistent quality ensure reliable performance in research and industrial applications.
1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- structure
482583-71-1 structure
Product Name:1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-
CAS No:482583-71-1
MF:C7H7NO3
MW:153.135381937027
CID:839152
PubChem ID:45083779
Update Time:2025-08-05

1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-
    • 1H-Pyrrole-3-carboxylicacid,5-formyl-1-methyl-(9CI)
    • DB-337334
    • EN300-399585
    • 482583-71-1
    • G75747
    • DBEZNHMVSOQGFL-UHFFFAOYSA-N
    • 5-formyl-1-methyl-1H-pyrrole-3-carboxylic acid
    • 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- (9CI)
    • Z1216832900
    • SCHEMBL5419548
    • 5-formyl-1-methylpyrrole-3-carboxylic acid
    • 5-formyl-1-methyl-1H-pyrrole-3-carboxylicacid
    • Inchi: 1S/C7H7NO3/c1-8-3-5(7(10)11)2-6(8)4-9/h2-4H,1H3,(H,10,11)
    • InChI Key: DBEZNHMVSOQGFL-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C=O)N(C)C=1)=O

Computed Properties

  • Exact Mass: 153.043
  • Monoisotopic Mass: 153.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 59.3A^2
  • XLogP3: 0

Experimental Properties

  • Density: 1.29

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Additional information on 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-

1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- (CAS No. 482583-71-1): A Comprehensive Overview

1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- (CAS No. 482583-71-1) is a versatile compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound, also known as 5-formyl-1-methylpyrrole-3-carboxylic acid, is characterized by its unique structural features and potential applications in the development of novel therapeutic agents.

The molecular formula of 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- is C9H9NO3, and its molecular weight is approximately 183.17 g/mol. The compound is a white to off-white solid at room temperature and is soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO). Its chemical structure consists of a pyrrole ring with a carboxylic acid group at the 3-position, a formyl group at the 5-position, and a methyl group at the 1-position.

Recent studies have highlighted the potential of 5-formyl-1-methylpyrrole-3-carboxylic acid in various biological and medicinal applications. One of the key areas of interest is its role as an intermediate in the synthesis of bioactive molecules. For instance, researchers have explored its use in the development of antimicrobial agents and anti-inflammatory drugs. The presence of the formyl group and the carboxylic acid group provides multiple functional handles for further chemical modifications, making it an attractive starting material for synthetic chemists.

In the realm of medicinal chemistry, 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- has been investigated for its potential as a scaffold for drug discovery. Studies have shown that derivatives of this compound exhibit promising pharmacological activities, including antioxidant, anti-cancer, and neuroprotective properties. For example, a recent study published in the *Journal of Medicinal Chemistry* reported that certain derivatives of 5-formyl-1-methylpyrrole-3-carboxylic acid demonstrated significant cytotoxic activity against various cancer cell lines, suggesting its potential as a lead compound for cancer therapy.

The structural flexibility and functional diversity of 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- also make it an ideal candidate for combinatorial chemistry approaches. Combinatorial libraries derived from this compound have been synthesized and screened for a wide range of biological activities. These libraries have yielded several hits with potent bioactivity, further underscoring the importance of this compound in drug discovery efforts.

Beyond its medicinal applications, 5-formyl-1-methylpyrrole-3-carboxylic acid has also found use in materials science. Its unique electronic properties make it suitable for applications in organic electronics and photovoltaic devices. Researchers have explored its use as a building block for organic semiconductors and have reported promising results in terms of charge transport properties and device performance.

In conclusion, 1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl- (CAS No. 482583-71-1) is a multifaceted compound with a wide range of potential applications in chemistry, biology, and materials science. Its unique structural features and functional groups provide numerous opportunities for further research and development. As ongoing studies continue to uncover new properties and applications, this compound is poised to play a significant role in advancing various scientific fields.

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