Cas no 34600-55-0 (1-Ethenyl-1H-pyrrole-2-carboxylate)

1-Ethenyl-1H-pyrrole-2-carboxylate is a versatile heterocyclic compound featuring a pyrrole core with an ethenyl substituent and a carboxylate functional group. This structure imparts reactivity suitable for applications in organic synthesis, particularly in the construction of complex heterocyclic frameworks. The compound’s vinyl group allows for further functionalization via polymerization or cross-coupling reactions, while the carboxylate moiety enhances solubility and compatibility with polar solvents. Its stability under standard conditions and well-defined reactivity profile make it a valuable intermediate in pharmaceutical and agrochemical research. The compound is typically handled under inert conditions to preserve its integrity.
1-Ethenyl-1H-pyrrole-2-carboxylate structure
34600-55-0 structure
Product Name:1-Ethenyl-1H-pyrrole-2-carboxylate
CAS No:34600-55-0
MF:C7H7NO2
MW:137.135981798172
CID:320733
PubChem ID:586189
Update Time:2025-10-31

1-Ethenyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Ethenyl-1H-pyrrole-2-carboxylate
    • 1-VINYL-1H-PYRROLE-2-CARBOXYLIC ACID
    • 1-Ethenyl-1H-pyrrole-2-carboxylic acid
    • 1-Vinylpyrrol-2-carbonsaeure
    • 1-vinyl-pyrrole-2-carboxylic acid
    • 1-Vinyl-1H-pyrrole-2-carboxylic acid, AldrichCPR
    • QKMWGJRTHOVYTE-UHFFFAOYSA-N
    • 1H-Pyrrole-2-carboxylic acid, 1-ethenyl-
    • 1-Vinyl-1H-pyrrole-2-carboxylic acid #
    • 34600-55-0
    • SCHEMBL1664457
    • BAS 01184241
    • 1-ethenylpyrrole-2-carboxylic acid
    • 1-vinyl-1 h-pyrrole-2-carboxylic acid
    • N-vinylpyrrolecarboxylic
    • AKOS000600233
    • HMS1683M17
    • MDL: MFCD02823748
    • Inchi: 1S/C7H7NO2/c1-2-8-5-3-4-6(8)7(9)10/h2-5H,1H2,(H,9,10)
    • InChI Key: QKMWGJRTHOVYTE-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CN1C=C)=O

Computed Properties

  • Exact Mass: 137.04800
  • Monoisotopic Mass: 137.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 156
  • 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: 1.1
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • Boiling Point: 165.2°Cat760mmHg
  • Flash Point: 53.7°C
  • PSA: 42.23000
  • LogP: 1.28680

1-Ethenyl-1H-pyrrole-2-carboxylate Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-Ethenyl-1H-pyrrole-2-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Ethenyl-1H-pyrrole-2-carboxylate Pricemore >>

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1-Ethenyl-1H-pyrrole-2-carboxylate Related Literature

Additional information on 1-Ethenyl-1H-pyrrole-2-carboxylate

Introduction to 1-Ethenyl-1H-pyrrole-2-carboxylate (CAS No. 34600-55-0)

1-Ethenyl-1H-pyrrole-2-carboxylate, with the chemical formula C?H?NO?, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This heterocyclic derivative has garnered attention due to its versatile structural framework, which makes it a valuable intermediate in the development of various bioactive molecules. The compound belongs to the pyrrole family, a class of nitrogen-containing heterocycles that are widely recognized for their broad spectrum of biological activities.

The molecular structure of 1-Ethenyl-1H-pyrrole-2-carboxylate features a pyrrole ring substituted with an ethenyl group at the 1-position and a carboxylate group at the 2-position. This unique arrangement imparts distinct chemical properties that make it useful in synthetic chemistry. The ethenyl group introduces a reactive double bond, allowing for further functionalization via addition reactions, while the carboxylate group provides a site for esterification or amidation, enabling the formation of more complex molecules.

Recent advancements in medicinal chemistry have highlighted the potential of pyrrole derivatives as scaffolds for drug discovery. 1-Ethenyl-1H-pyrrole-2-carboxylate has been explored in several research studies for its pharmacological properties. For instance, its derivatives have shown promise in inhibiting certain enzymes and receptors involved in inflammatory and infectious diseases. The compound's ability to interact with biological targets makes it a compelling candidate for further investigation.

In synthetic applications, 1-Ethenyl-1H-pyrrole-2-carboxylate serves as a key precursor in the preparation of more complex pyrrole-based compounds. Researchers have utilized this intermediate to synthesize novel molecules with potential therapeutic applications. The ease of functionalization at both the ethenyl and carboxylate positions allows for the creation of diverse analogs, each with unique biological profiles. This flexibility has made 1-Ethenyl-1H-pyrrole-2-carboxylate a cornerstone in many synthetic strategies.

The compound's stability under various reaction conditions has also contributed to its popularity among chemists. It can be stored and handled relatively easily, making it accessible for large-scale synthesis and industrial applications. Additionally, its compatibility with green chemistry principles has been noted, as it can be synthesized using environmentally friendly methods that minimize waste and hazardous byproducts.

One notable area where 1-Ethenyl-1H-pyrrole-2-carboxylate has found utility is in the development of agrochemicals. Pyrrole derivatives are known to exhibit herbicidal and fungicidal properties, and modifications of this compound have led to the discovery of new agents that can protect crops from pests and diseases. The agrochemical industry continues to explore this compound as a basis for next-generation crop protection solutions.

Another emerging field where 1-Ethenyl-1H-pyrrole-2-carboxylate is making strides is in materials science. Researchers have been investigating its use in creating advanced polymers and coatings due to its ability to form stable conjugated systems. These materials exhibit enhanced mechanical strength and chemical resistance, making them suitable for high-performance applications in electronics and construction.

The pharmacokinetic properties of 1-Ethenyl-1H-pyrrole-2-carboxylate derivatives have also been studied extensively. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing their therapeutic efficacy. Early studies suggest that modifications to the pyrrole ring can significantly influence these processes, leading to improved bioavailability and reduced toxicity.

In conclusion, 1-Ethenyl-1H-pyrrole-2-carboxylate (CAS No. 34600-55-0) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and materials science. Its unique structural features and reactivity make it an invaluable intermediate for synthetic chemists. As research continues to uncover new uses for this compound, its importance in advancing scientific innovation is likely to grow even further.

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