Cas no 157944-37-1 (Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate)

Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate is a fluorinated pyrrole derivative with significant utility in pharmaceutical and agrochemical research. The presence of both fluorine and a methyl group on the pyrrole ring enhances its reactivity and potential as a building block for heterocyclic synthesis. The ethyl ester moiety improves solubility in organic solvents, facilitating further functionalization. This compound is particularly valuable in the development of bioactive molecules due to its structural versatility and the electron-withdrawing effects of the fluorine substituent, which can influence binding interactions. Its stability under standard conditions makes it a practical intermediate for medicinal chemistry applications.
Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate structure
157944-37-1 structure
Product Name:Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate
CAS No:157944-37-1
MF:C8H10FNO2
MW:171.168905735016
CID:4816351
Update Time:2025-10-28

Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate
    • Inchi: 1S/C8H10FNO2/c1-3-12-8(11)7-5(2)6(9)4-10-7/h4,10H,3H2,1-2H3
    • InChI Key: LJQPZDHZBDAYON-UHFFFAOYSA-N
    • SMILES: FC1=CNC(C(=O)OCC)=C1C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 174
  • XLogP3: 1.7
  • Topological Polar Surface Area: 42.1

Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A109009001-1g
Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate
157944-37-1 95%
1g
2,412.00 USD 2021-05-31
Alichem
A109009001-5g
Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate
157944-37-1 95%
5g
6,512.40 USD 2021-05-31

Additional information on Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate

Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate: A Comprehensive Overview

Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate, with the CAS number 157944-37-1, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a pyrrole ring with substituents that confer distinct electronic and steric properties. The pyrrole ring serves as the core framework, while the fluorine and methyl groups at positions 4 and 3, respectively, introduce functional diversity. The carboxylate ester group at position 2 further enhances the compound's reactivity and applicability in various chemical reactions.

Recent studies have highlighted the potential of Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate in drug discovery and materials synthesis. For instance, researchers have explored its role as a precursor in the synthesis of advanced materials, such as organic semiconductors and stimuli-responsive polymers. The compound's ability to undergo various transformations, including cyclization and cross-coupling reactions, has made it a valuable building block in modern organic synthesis.

The synthesis of Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate typically involves multi-step processes that require precise control over reaction conditions. One common approach involves the alkylation of a fluorinated pyrrole derivative followed by esterification to introduce the carboxylate group. The use of transition metal catalysts has been shown to enhance reaction efficiency, particularly in cross-coupling reactions where the compound serves as a coupling partner.

In terms of applications, Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate has been utilized in the development of new pharmaceutical agents. Its structure allows for modulation of pharmacokinetic properties, making it a promising candidate for drug delivery systems. Additionally, the compound has been employed in the synthesis of advanced materials with tailored electronic properties, contributing to advancements in optoelectronics and nanotechnology.

Recent research has also focused on the environmental impact and sustainability aspects of Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate. Studies have explored green chemistry approaches to its synthesis, emphasizing the use of renewable feedstocks and energy-efficient reaction conditions. These efforts align with global initiatives to promote sustainable chemical practices and reduce environmental footprints.

In conclusion, Ethyl 4-fluoro-3-methyl-1H-pyrrole-2-carboxylate (CAS No: 157944-37-1) is a versatile compound with a wide range of applications in organic chemistry and materials science. Its unique structure and reactivity make it an invaluable tool for researchers seeking to develop innovative solutions across diverse fields. As research continues to uncover new potential uses for this compound, its role in advancing scientific knowledge is expected to grow significantly.

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