Cas no 114670-86-9 (Methyl 4-Ethylthiazole-5-carboxylate)

Methyl 4-Ethylthiazole-5-carboxylate is a heterocyclic compound featuring a thiazole ring substituted with an ethyl group at the 4-position and a carboxylate ester at the 5-position. This intermediate is valuable in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its ester functionality allows for further derivatization, while the thiazole core contributes to its utility in bioactive molecule design. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its structural versatility makes it a useful building block for constructing complex heterocyclic frameworks, often employed in medicinal chemistry and material science applications.
Methyl 4-Ethylthiazole-5-carboxylate structure
114670-86-9 structure
Product Name:Methyl 4-Ethylthiazole-5-carboxylate
CAS No:114670-86-9
MF:C7H9NO2S
MW:171.216860532761
MDL:MFCD22375196
CID:3635314
PubChem ID:19902848
Update Time:2025-05-22

Methyl 4-Ethylthiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxylic acid, 4-ethyl-, methyl ester
    • METHYL 4-ETHYLTHIAZOLE-5-CARBOXYLATE
    • 4-Ethyl-thiazole-5-carboxylic acid methyl ester
    • Methyl4-ethylthiazole-5-carboxylate
    • methyl 4-ethyl-1,3-thiazole-5-carboxylate
    • AKOS027333828
    • ISKDUOKBLSORJU-UHFFFAOYSA-N
    • EN300-115157
    • Z1480872818
    • PEA67086
    • AS-42961
    • SCHEMBL5528025
    • 114670-86-9
    • methyl 4-ethyl-5-thiazolecarboxylate
    • MFCD22375196
    • Methyl 4-Ethylthiazole-5-carboxylate
    • MDL: MFCD22375196
    • Inchi: 1S/C7H9NO2S/c1-3-5-6(7(9)10-2)11-4-8-5/h4H,3H2,1-2H3
    • InChI Key: ISKDUOKBLSORJU-UHFFFAOYSA-N
    • SMILES: S1C(C(OC)=O)=C(CC)N=C1

Computed Properties

  • Exact Mass: 171.03539970Da
  • Monoisotopic Mass: 171.03539970Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 273.6±28.0 °C at 760 mmHg
  • Flash Point: 119.3±24.0 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Methyl 4-Ethylthiazole-5-carboxylate Security Information

Methyl 4-Ethylthiazole-5-carboxylate Pricemore >>

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Additional information on Methyl 4-Ethylthiazole-5-carboxylate

Methyl 4-Ethylthiazole-5-carboxylate: A Comprehensive Overview

Methyl 4-Ethylthiazole-5-carboxylate, also known by its CAS No. 114670-86-9, is a chemical compound that has garnered significant attention in recent years due to its versatile applications and unique properties. This compound belongs to the class of thiazole derivatives, which are widely studied for their potential in various fields, including pharmaceuticals, agrochemicals, and materials science. The structure of Methyl 4-Ethylthiazole-5-carboxylate consists of a thiazole ring substituted with an ethyl group at position 4 and a methyl ester at position 5, making it a valuable intermediate in organic synthesis.

The synthesis of Methyl 4-Ethylthiazole-5-carboxylate typically involves multi-step processes that leverage the reactivity of thiazoles. Recent advancements in synthetic chemistry have enabled more efficient and environmentally friendly methods for its production. For instance, researchers have explored the use of microwave-assisted synthesis to enhance reaction rates and selectivity, reducing the overall production time and cost. These innovations have made Methyl 4-Ethylthiazole-5-carboxylate more accessible for large-scale applications.

In the pharmaceutical industry, Methyl 4-Ethylthiazole-5-carboxylate has shown promise as a building block for drug development. Its thiazole core is known for its ability to interact with various biological targets, such as kinases and G-protein coupled receptors (GPCRs). Recent studies have demonstrated that derivatives of this compound exhibit potent anti-inflammatory and anti-cancer activities. For example, a research team reported that certain analogs of Methyl 4-Ethylthiazole-5-carboxylate selectively inhibit COX-2 enzymes, making them potential candidates for treating inflammatory diseases like arthritis.

Beyond pharmaceuticals, Methyl 4-Ethylthiazole-5-carboxylate has found applications in agrochemicals, particularly as a precursor for fungicides and herbicides. Its ability to modulate plant-microbe interactions has led to the development of eco-friendly agricultural solutions. A recent study highlighted the use of this compound in creating biocontrol agents that protect crops from fungal pathogens without harming beneficial soil microorganisms. This aligns with the growing demand for sustainable agricultural practices.

The material science sector has also benefited from the properties of Methyl 4-Ethylthiazole-5-carboxylate. Researchers have investigated its role in synthesizing advanced polymers and materials with tailored electronic properties. For instance, derivatives of this compound have been used to create conductive polymers that show potential in flexible electronics and energy storage devices. These applications underscore the compound's versatility across diverse industries.

From an environmental perspective, understanding the ecological impact of Methyl 4-Ethylthiazole-5-carboxylate is crucial. Recent toxicity studies have assessed its biodegradability and potential risks to aquatic life. Findings indicate that under controlled conditions, the compound undergoes rapid biodegradation, reducing its environmental footprint. However, further research is needed to evaluate its long-term effects in different ecosystems.

In conclusion, Methyl 4-Ethylthiazole-5-carboxylate stands as a testament to the ingenuity of modern chemistry. Its applications span multiple industries, driven by continuous advancements in synthetic methods and a deeper understanding of its biological interactions. As research progresses, this compound is expected to unlock new possibilities in drug discovery, agriculture, and materials science, solidifying its role as a key player in contemporary chemical innovation.

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