Cas no 628733-99-3 (Ethyl 1-amino-1H-pyrrole-2-carboxylate)

Ethyl 1-amino-1H-pyrrole-2-carboxylate is a versatile heterocyclic compound featuring both an amino and an ester functional group on a pyrrole scaffold. This structure makes it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of the reactive amino group allows for further functionalization, while the ester moiety offers flexibility in derivatization or hydrolysis. Its pyrrole core is significant in medicinal chemistry due to its prevalence in bioactive molecules. The compound is typically used in research settings for constructing complex heterocycles or as a precursor in multicomponent reactions. Proper handling under inert conditions is recommended to preserve stability.
Ethyl 1-amino-1H-pyrrole-2-carboxylate structure
628733-99-3 structure
Product Name:Ethyl 1-amino-1H-pyrrole-2-carboxylate
CAS No:628733-99-3
MF:C7H10N2O2
MW:154.166501522064
CID:1017814
PubChem ID:45082088
Update Time:2025-11-02

Ethyl 1-amino-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-amino-1H-pyrrole-2-carboxylate
    • 1H-Pyrrole-2-carboxylicacid,1-amino-,ethylester(9CI)
    • ethyl 1-aminopyrrole-2-carboxylate
    • DB-124701
    • 1-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
    • Ethyl1-amino-1H-pyrrole-2-carboxylate
    • SB62268
    • 628733-99-3
    • SCHEMBL520337
    • NIDJDASEHIKVCF-UHFFFAOYSA-N
    • DTXSID10665083
    • 1H-Pyrrole-2-carboxylic acid, 1-amino-, ethyl ester
    • Inchi: 1S/C7H10N2O2/c1-2-11-7(10)6-4-3-5-9(6)8/h3-5H,2,8H2,1H3
    • InChI Key: NIDJDASEHIKVCF-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC=CN1N)=O

Computed Properties

  • Exact Mass: 154.074227566g/mol
  • Monoisotopic Mass: 154.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 57.2?2

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Additional information on Ethyl 1-amino-1H-pyrrole-2-carboxylate

Comprehensive Overview of Ethyl 1-amino-1H-pyrrole-2-carboxylate (CAS No. 628733-99-3)

Ethyl 1-amino-1H-pyrrole-2-carboxylate (CAS No. 628733-99-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic derivative, featuring an ethyl ester and an amino group on the pyrrole ring, serves as a versatile building block for synthesizing complex molecules. Its unique structure makes it invaluable in drug discovery, particularly for designing kinase inhibitors and antimicrobial agents, aligning with current trends in precision medicine and antibiotic resistance research.

In recent years, the demand for pyrrole-based compounds like Ethyl 1-amino-1H-pyrrole-2-carboxylate has surged due to their role in developing small-molecule therapeutics. Researchers frequently search for "pyrrole derivatives in drug design" or "CAS 628733-99-3 applications," reflecting its relevance in targeting diseases such as cancer and inflammatory disorders. The compound’s carboxylate moiety enhances solubility, a critical factor in optimizing bioavailability—a hot topic in AI-driven drug development discussions.

The synthesis of Ethyl 1-amino-1H-pyrrole-2-carboxylate typically involves multistep organic reactions, including esterification and amination processes. Analytical techniques like HPLC and NMR spectroscopy ensure high purity, addressing the growing industry emphasis on "quality control in chemical synthesis." Its stability under ambient conditions also makes it a preferred choice for high-throughput screening (HTS) platforms, a method increasingly adopted in automated drug discovery workflows.

Beyond pharmaceuticals, this compound finds niche applications in material science, particularly in designing organic semiconductors and photovoltaic materials. Searches for "pyrrole compounds in renewable energy" highlight its potential in sustainable technologies. The ethyl ester group facilitates further functionalization, enabling researchers to tailor properties for specific applications, such as flexible electronics or biodegradable polymers.

Regulatory compliance and safety are paramount when handling Ethyl 1-amino-1H-pyrrole-2-carboxylate. While it is not classified as hazardous under major chemical inventories, proper laboratory safety protocols must be followed. This aligns with the increasing public interest in "green chemistry practices" and "sustainable lab management," topics frequently explored in academic and industrial forums.

In summary, Ethyl 1-amino-1H-pyrrole-2-carboxylate (CAS No. 628733-99-3) exemplifies the intersection of organic chemistry and cutting-edge applications. Its adaptability in drug discovery, material engineering, and green technology positions it as a compound of enduring scientific and commercial value. As research trends evolve, this molecule continues to inspire innovations addressing global challenges in health and sustainability.

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