Cas no 32977-83-6 (Ethyl 3-methylthiophene-2-glyoxylate)

Ethyl 3-methylthiophene-2-glyoxylate is a versatile heterocyclic ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure combines a thiophene ring with a glyoxylate ester group, offering reactivity for further functionalization. The ethyl ester moiety enhances solubility in organic solvents, facilitating reactions such as condensations or cyclizations. The 3-methyl substitution on the thiophene ring contributes to steric and electronic modulation, influencing regioselectivity in subsequent transformations. This compound is particularly useful in the synthesis of thiophene-based scaffolds, which are relevant in medicinal chemistry and material science. Its stability under standard storage conditions ensures reliable handling in laboratory settings.
Ethyl 3-methylthiophene-2-glyoxylate structure
32977-83-6 structure
Product Name:Ethyl 3-methylthiophene-2-glyoxylate
CAS No:32977-83-6
MF:C9H10O3S
MW:198.238901615143
MDL:MFCD07782945
CID:1075112
PubChem ID:14452578
Update Time:2025-08-04

Ethyl 3-methylthiophene-2-glyoxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-methylthiophene-2-glyoxylate
    • (3-methyl-thiophen-2-yl)-oxo-acetic acid ethyl ester
    • 2-Ethoxyoxalyl-3-methylthiophen
    • AG-F-10692
    • AGN-PC-001GNS
    • CTK4G9657
    • Ethyl 3-methylthien-2-ylglyoxylate
    • KB-201600
    • SureCN8501054
    • AKOS010879710
    • 32977-83-6
    • MFCD07782945
    • DB-208911
    • Ethyl3-methylthiophene-2-glyoxylate
    • G71603
    • ethyl 2-(3-methylthiophen-2-yl)-2-oxoacetate
    • SCHEMBL8501054
    • Ethyl (3-methylthiophen-2-yl)(oxo)acetate
    • DTXSID00560477
    • MDL: MFCD07782945
    • Inchi: 1S/C9H10O3S/c1-3-12-9(11)7(10)8-6(2)4-5-13-8/h4-5H,3H2,1-2H3
    • InChI Key: DVYCFIORSNTJLJ-UHFFFAOYSA-N
    • SMILES: S1C=CC(C)=C1C(C(=O)OCC)=O

Computed Properties

  • Exact Mass: 198.0351
  • Monoisotopic Mass: 198.03506535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 215
  • 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: 2.4
  • Topological Polar Surface Area: 71.6?2

Experimental Properties

  • Density: 1.214
  • Boiling Point: 295.1°C at 760 mmHg
  • Flash Point: 132.3°C
  • Refractive Index: 1.531
  • PSA: 43.37
  • LogP: 1.80230

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Additional information on Ethyl 3-methylthiophene-2-glyoxylate

Ethyl 3-methylthiophene-2-glyoxylate (CAS No. 32977-83-6): A Comprehensive Overview

Ethyl 3-methylthiophene-2-glyoxylate (CAS No. 32977-83-6) is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered considerable attention due to its potential applications in drug development and synthetic chemistry. The Ethyl 3-methylthiophene-2-glyoxylate molecule, featuring a thiophene core with a glyoxylate substituent, presents a versatile platform for further chemical modifications and functionalization.

The chemical structure of Ethyl 3-methylthiophene-2-glyoxylate consists of a thiophene ring substituted with a methyl group at the 3-position and a glyoxylate group at the 2-position. This arrangement imparts distinct reactivity and electronic properties, making it a valuable intermediate in the synthesis of more complex molecules. The presence of the glyoxylate group, in particular, enhances the compound's utility in various synthetic pathways, including condensation reactions and metal-catalyzed transformations.

In recent years, the pharmaceutical industry has shown increasing interest in heterocyclic compounds due to their diverse biological activities. Thiophene derivatives, such as Ethyl 3-methylthiophene-2-glyoxylate, have been extensively studied for their potential as pharmacophores in drug discovery. The compound's ability to interact with biological targets through hydrogen bonding and π-stacking interactions makes it an attractive candidate for developing novel therapeutic agents.

One of the most notable applications of Ethyl 3-methylthiophene-2-glyoxylate is in the synthesis of bioactive molecules. Researchers have utilized this compound as a building block for creating more complex structures with specific biological functions. For instance, derivatives of Ethyl 3-methylthiophene-2-glyoxylate have been explored for their antimicrobial and anti-inflammatory properties. These studies highlight the compound's role as a precursor in generating molecules that can modulate biological pathways.

The synthetic utility of Ethyl 3-methylthiophene-2-glyoxylate extends beyond pharmaceutical applications. In materials science, this compound has been investigated for its potential use in organic electronics and optoelectronic devices. The thiophene core, known for its conjugated system, contributes to the compound's ability to conduct electricity and emit light. These properties make it suitable for applications in organic light-emitting diodes (OLEDs) and photovoltaic cells.

Recent advancements in synthetic methodologies have further enhanced the accessibility and functionality of Ethyl 3-methylthiophene-2-glyoxylate. New catalytic systems and reaction conditions have enabled more efficient and selective transformations, allowing researchers to tailor the compound's structure for specific applications. For example, palladium-catalyzed cross-coupling reactions have been employed to introduce additional functional groups onto the thiophene ring, expanding the compound's synthetic toolkit.

The biodegradability and environmental impact of Ethyl 3-methylthiophene-2-glyoxylate are also areas of active research. Studies have focused on understanding how the compound behaves in different environmental conditions and how it can be degraded into less harmful products. These efforts are crucial for ensuring that the use of this compound in industrial and pharmaceutical applications does not contribute to environmental pollution.

In conclusion, Ethyl 3-methylthiophene-2-glyoxylate (CAS No. 32977-83-6) is a multifaceted compound with significant potential in various fields. Its unique structural features make it a valuable intermediate in drug development, materials science, and synthetic chemistry. As research continues to uncover new applications and synthetic strategies, the importance of this compound is likely to grow further.

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