Cas no 53101-01-2 (Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate)

Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate is a thiazole-based organic compound with a carboxylate ester functional group. It serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of heterocyclic compounds. The 4-methylphenyl substitution enhances its stability and lipophilicity, making it suitable for applications requiring controlled reactivity. Its thiazole core contributes to potential biological activity, often explored in medicinal chemistry for antimicrobial or anti-inflammatory properties. The ethyl ester group offers synthetic flexibility, allowing further derivatization. This compound is characterized by high purity and consistent performance, making it a reliable choice for research and industrial applications.
Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate structure
53101-01-2 structure
Product Name:Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate
CAS No:53101-01-2
MF:C13H13NO2S
MW:247.3128221035
CID:937941
PubChem ID:14772720
Update Time:2025-05-21

Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarboxylic acid,4-(4-methylphenyl)-,ethyl ester
    • Ethyl 4-(4-methylphenyl)-1,3-thiazole-2-carboxylate
    • 4-p-Methyl-phenyl-2-carbethoxy-thiazol
    • 4-P-TOLYL-THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
    • AB29617
    • AGN-PC-002IAL
    • CTK8D4084
    • ETHYL 4-P-TOLYLTHIAZOLE-2-CARBOXYLATE
    • SureCN2705788
    • ethyl 4-(4-methylphenyl)-2-thiazolecarboxylate
    • 53101-01-2
    • ETHYL 4-(4-METHYLPHENYL)-2-THIAZOLE CARBOXYLATE
    • MFCD06797358
    • Ethyl 4-(p-tolyl)thiazole-2-carboxylate
    • SCHEMBL2705788
    • DTXSID20563869
    • BNQNHGYFHZMXGI-UHFFFAOYSA-N
    • AKOS010644327
    • 2-Thiazolecarboxylic acid, 4-(4-methylphenyl)-, ethyl ester
    • Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate
    • MDL: MFCD06797358
    • Inchi: 1S/C13H13NO2S/c1-3-16-13(15)12-14-11(8-17-12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
    • InChI Key: BNQNHGYFHZMXGI-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OCC)=NC(=C1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 247.06669983g/mol
  • Monoisotopic Mass: 247.06669983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 264
  • 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: 3.5
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 380.6±40.0 °C at 760 mmHg
  • Flash Point: 184.0±27.3 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate Security Information

Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate Pricemore >>

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Additional information on Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate

Comprehensive Guide to Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate (CAS No. 53101-01-2): Properties, Applications, and Industry Insights

Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate (CAS No. 53101-01-2) is a specialized organic compound gaining traction in pharmaceutical and agrochemical research. This thiazole derivative features a unique molecular structure combining an ethyl carboxylate group with a 4-methylphenyl substitution, making it a versatile intermediate for synthesizing bioactive molecules. Its CAS registry number 53101-01-2 ensures precise identification across global chemical databases, addressing growing industry demands for standardized nomenclature.

Recent studies highlight the compound's role as a key building block in developing heterocyclic pharmaceuticals, particularly for antimicrobial and anti-inflammatory applications. The thiazole ring system demonstrates remarkable electron-withdrawing properties, enhancing its reactivity in cross-coupling reactions—a hot topic in modern medicinal chemistry. Researchers are particularly interested in its potential for creating next-generation drug candidates, as evidenced by increased patent filings mentioning 53101-01-2 in the past five years.

From a synthetic chemistry perspective, Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate offers distinct advantages in multi-step organic synthesis. Its ester functionality allows straightforward conversion to acids or amides, while the methylphenyl group provides steric control in catalytic reactions. These characteristics align with current industry trends toward atom-efficient synthesis and green chemistry principles, answering frequent search queries about "sustainable heterocyclic synthesis methods."

The compound's physicochemical properties—including its melting point range (typically 98-102°C) and moderate solubility in organic solvents—make it particularly valuable for formulation development. Analytical chemists frequently discuss its characteristic UV-Vis absorption peaksmax ~285 nm) in online forums, reflecting user interest in spectral identification techniques for thiazole derivatives. These technical discussions often reference CAS 53101-01-2 as a benchmark compound.

Emerging applications in material science have expanded the relevance of Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate. Its conjugated system shows promise in developing organic semiconductors and luminescent materials, addressing trending searches about "thiazole-based electronic materials." The compound's thermal stability (decomposition temperature >200°C) makes it suitable for high-performance polymer modifications, a subject gaining attention in advanced materials research.

Quality control protocols for 53101-01-2 emphasize HPLC purity analysis (typically ≥98%) and residual solvent screening, responding to stringent regulatory requirements in pharmaceutical applications. Industry professionals frequently search for "analytical methods for thiazole carboxylates," underscoring the need for detailed technical guidance. The compound's storage stability under inert atmospheres and handling precautions are also common discussion points in research communities.

Market analysts note growing demand for Ethyl 4-(4-Methylphenyl)-2-thiazole Carboxylate across North America and Asia-Pacific regions, driven by expanding contract research organizations and generic drug development activities. Suppliers increasingly highlight CAS 53101-01-2 in specialty chemical catalogs, often accompanied by technical bulletins addressing frequent buyer inquiries about scale-up synthesis and custom purity specifications.

Environmental and safety assessments of thiazole carboxylate derivatives remain an active research area, with particular focus on biodegradation pathways and ecotoxicological profiles. These studies respond to increasing regulatory scrutiny and industry commitments to green chemistry metrics, topics that dominate recent chemical industry conferences and publications mentioning 53101-01-2.

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