Cas no 294620-60-3 (4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid)

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid is a heterocyclic benzoic acid derivative featuring a 2-methylthiazole substituent at the 4-position. This compound is of interest in medicinal chemistry and pharmaceutical research due to its structural motif, which is commonly found in bioactive molecules. The thiazole ring enhances its potential as a building block for drug discovery, particularly in the development of kinase inhibitors or antimicrobial agents. Its carboxylic acid functional group allows for further derivatization, enabling conjugation or salt formation for improved solubility. The compound exhibits moderate stability under standard conditions, making it suitable for synthetic applications. Analytical characterization is typically performed via HPLC, NMR, and mass spectrometry to ensure purity.
4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid structure
294620-60-3 structure
Product Name:4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid
CAS No:294620-60-3
MF:C11H9NO2S
MW:219.259661436081
MDL:MFCD02225088
CID:252181
PubChem ID:654980
Update Time:2025-11-02

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Methylthiazol-4-yl)benzoic acid
    • 4-(2-Methyl-thiazol-4-yl)-benzoic acid
    • Benzoic acid,4-(2-methyl-4-thiazolyl)-
    • 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
    • PS-5811
    • Z57475114
    • 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid, AldrichCPR
    • DTXSID20349600
    • NYJHTTLXERQUIV-UHFFFAOYSA-N
    • J-513323
    • EN300-195175
    • SCHEMBL599260
    • FT-0678780
    • CHEBI:103850
    • MFCD02225088
    • CHEMBL1623780
    • Benzoic acid, 4-(2-methyl-4-thiazolyl)-
    • CS-0037900
    • Q27181024
    • 4-(2-methyl-4-thiazolyl)benzoic acid
    • 4-(2-Methylthiazol-4-yl)benzoicacid
    • 294620-60-3
    • AKOS000294784
    • AM803648
    • SY162726
    • Oprea1_478176
    • A876455
    • 4-(2-methylthiazol-4-yl)-benzoic acid
    • HMS1701A13
    • Oprea1_314628
    • 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid
    • MDL: MFCD02225088
    • Inchi: 1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)
    • InChI Key: NYJHTTLXERQUIV-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(=C1)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 219.03500
  • Monoisotopic Mass: 219.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: 2.5
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.319
  • Melting Point: 262.5-268
  • Boiling Point: 410.3°Cat760mmHg
  • Flash Point: 201.9°C
  • Refractive Index: 1.629
  • PSA: 78.43000
  • LogP: 2.81670
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid Security Information

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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Additional information on 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS 294620-60-3): A Versatile Chemical Building Block

4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS 294620-60-3) is an important organic compound that has gained significant attention in pharmaceutical and materials science research. This thiazole-containing benzoic acid derivative serves as a valuable chemical intermediate with diverse applications across multiple industries. The compound features a unique molecular structure combining a methyl-substituted thiazole ring with a benzoic acid moiety, making it particularly interesting for drug discovery and material development.

The growing interest in heterocyclic compounds like 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid stems from their wide range of biological activities and material properties. Researchers are particularly interested in how the thiazole-benzoic acid hybrid structure can be utilized in medicinal chemistry applications. The compound's CAS 294620-60-3 serves as a crucial identifier for researchers looking for specific information about this chemical entity in scientific literature and commercial catalogs.

From a chemical perspective, 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid exhibits several interesting properties. The carboxylic acid functional group provides opportunities for further derivatization, while the thiazole ring contributes to the compound's potential biological activity. This combination makes it particularly valuable in the development of small molecule pharmaceuticals and bioactive compounds. The presence of both hydrogen bond donor and acceptor sites in its structure enhances its potential for molecular interactions.

In pharmaceutical research, thiazole derivatives like 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid are being investigated for their potential therapeutic applications. The compound's structural features are similar to those found in several FDA-approved drugs, making it a promising scaffold for drug discovery. Researchers are particularly interested in its potential applications in developing treatments for various conditions, though specific medical claims cannot be made without proper clinical validation.

The synthesis of 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid typically involves multi-step organic reactions that combine thiazole chemistry with aromatic substitution techniques. The purity and quality of the final product (identified by CAS 294620-60-3) are crucial for research applications, with most commercial suppliers offering it at various purity grades suitable for different laboratory needs. Analytical techniques like HPLC, NMR, and mass spectrometry are commonly used to characterize this compound.

Beyond pharmaceutical applications, 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid finds use in materials science as a building block for functional materials. Its conjugated system and potential for coordination chemistry make it interesting for developing organic electronic materials and metal-organic frameworks. The compound's ability to form stable crystalline structures has also attracted attention from researchers working on crystal engineering and supramolecular chemistry.

The commercial availability of 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS 294620-60-3) has increased in recent years, reflecting growing demand from research institutions and pharmaceutical companies. Suppliers typically offer this compound in quantities ranging from milligrams to kilograms, with prices varying based on purity and scale. Researchers looking for this chemical should pay attention to specifications like purity grade, solubility data, and storage recommendations when selecting a supplier.

Safety considerations for handling 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid follow standard laboratory protocols for organic compounds. While not classified as highly hazardous, proper personal protective equipment should be used when working with this chemical. The compound's material safety data sheet (MSDS) provides detailed information about handling, storage, and disposal procedures that researchers should review before use.

Recent scientific literature reveals growing interest in thiazole-containing compounds like 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid. Publications have explored its use as a ligand in coordination chemistry, a precursor for bioactive molecules, and a component in material science applications. The compound's versatility continues to make it a subject of ongoing research across multiple disciplines.

For researchers working with 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS 294620-60-3), proper analytical characterization is essential. Techniques like melting point determination, spectroscopic analysis, and chromatographic purity assessment are commonly employed to verify the identity and quality of this compound. These analytical procedures are particularly important when the chemical is used as a starting material for further synthetic transformations.

The future outlook for 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid appears promising, with potential applications continuing to emerge in both life sciences and materials research. As synthetic methodologies improve and our understanding of thiazole chemistry advances, this compound is likely to find even broader utility. Researchers are particularly excited about its potential in developing new classes of functional materials and biologically active compounds.

In conclusion, 4-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS 294620-60-3) represents an important chemical building block with diverse applications across multiple research fields. Its unique combination of thiazole and benzoic acid functionalities makes it particularly valuable for pharmaceutical and materials science applications. As research into heterocyclic compounds continues to expand, this compound is likely to remain an important tool for chemists and researchers worldwide.

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