Cas no 28077-41-0 (3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid)

3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid is a heterocyclic carboxylic acid derivative featuring a thiazole ring substituted with a methyl group at the 2-position and a benzoic acid moiety at the 4-position. This compound is of interest in pharmaceutical and agrochemical research due to its structural versatility, serving as a key intermediate in the synthesis of biologically active molecules. Its benzoic acid group enables further functionalization, while the thiazole ring contributes to potential interactions with biological targets. The compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined structure and purity make it suitable for use in medicinal chemistry, particularly in the development of novel therapeutic agents.
3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid structure
28077-41-0 structure
Product Name:3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid
CAS No:28077-41-0
MF:C11H9NO2S
MW:219.259661436081
MDL:MFCD02682065
CID:252268
PubChem ID:2776495
Update Time:2025-11-02

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

Names and Identifiers

    • 3-(2-Methylthiazol-4-yl)benzoic acid
    • 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
    • Benzoic acid,3-(2-methyl-4-thiazolyl)-
    • 3-(2-Methyl-thiazol-4-yl)benzoesaeure
    • DTXSID50380127
    • MFCD02682065
    • PS-4295
    • FT-0613568
    • SDCCGMLS-0066017.P001
    • EN300-95503
    • AKOS009157504
    • 28077-41-0
    • CS-0206952
    • SCHEMBL601034
    • 3-(2-methyl-1,3-thiazol-4-yl)benzoic acid, AldrichCPR
    • Z1095337528
    • 3-(2-Methylthiazol-4-yl)benzoicacid
    • J-510535
    • Oprea1_697447
    • DB-010849
    • G29865
    • 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid
    • MDL: MFCD02682065
    • Inchi: 1S/C11H9NO2S/c1-7-12-10(6-15-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14)
    • InChI Key: YDPHSMPSNLAMJE-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(=C1)C1C=CC=C(C(=O)O)C=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: 247
  • 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: 1.3±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 431.0±28.0 °C at 760 mmHg
  • Flash Point: 214.4±24.0 °C
  • Refractive Index: 1.629
  • PSA: 78.43000
  • LogP: 2.81670
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

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

  • Signal Word:warning
  • Hazard Statement: Irritant
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazard Category Code: 22
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26;S37/39
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-(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%

3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid Pricemore >>

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

Comprehensive Guide to 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS No. 28077-41-0): Properties, Applications, and Market Insights

3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid (CAS No. 28077-41-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This thiazole-containing benzoic acid derivative exhibits unique structural features that make it valuable for various applications. With the increasing demand for heterocyclic compounds in drug discovery, understanding this molecule's properties and potential uses becomes crucial for researchers and industry professionals.

The molecular structure of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid combines a benzoic acid moiety with a 2-methylthiazole ring, creating interesting electronic and steric properties. This combination is particularly relevant in current medicinal chemistry trends, where researchers are actively exploring thiazole derivatives for their biological activities. The compound's molecular weight of 219.25 g/mol and its specific chemical formula (C11H9NO2S) contribute to its distinctive characteristics in various applications.

Recent studies highlight the growing importance of thiazole-based compounds in addressing modern healthcare challenges. As researchers investigate novel approaches to drug design and molecular targeting, compounds like 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid offer valuable building blocks for developing new therapeutic agents. The compound's carboxylic acid functional group provides opportunities for further derivatization, making it particularly useful in structure-activity relationship studies.

In the pharmaceutical industry, 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid serves as a key intermediate for synthesizing more complex molecules. Its applications extend to potential use in developing anti-inflammatory agents, antimicrobial compounds, and other bioactive molecules. The compound's structural features align well with current research into small molecule therapeutics, particularly in areas addressing metabolic disorders and neurological conditions.

The agrochemical sector also benefits from thiazole-containing compounds like 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid. As the agricultural industry seeks more effective and environmentally friendly solutions, such molecules contribute to developing new crop protection agents and plant growth regulators. The compound's potential role in creating sustainable agriculture solutions makes it particularly relevant in today's market.

From a synthetic chemistry perspective, 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid offers interesting possibilities for organic synthesis and molecular design. Chemists value its versatility as a building block for creating diverse molecular architectures. The compound's stability and reactivity profile make it suitable for various coupling reactions and functional group transformations, which are fundamental in modern drug discovery pipelines.

Market analysis indicates growing demand for specialized chemical intermediates like 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid. The global market for fine chemicals and pharmaceutical intermediates continues to expand, driven by increased R&D activities in the life sciences sector. Companies specializing in custom synthesis and contract research are particularly interested in such compounds to support their clients' innovation efforts.

Quality control and characterization of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid involve standard analytical techniques including HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound meets the stringent purity requirements for research and industrial applications. Proper storage conditions and handling procedures are essential to maintain the compound's stability and performance characteristics over time.

As research into heterocyclic chemistry advances, compounds like 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid continue to reveal new potential applications. Current investigations explore its use in material science applications, particularly in developing functional materials with specific electronic or optical properties. This expansion into non-pharmaceutical applications demonstrates the compound's versatility across multiple scientific disciplines.

The future outlook for 3-(2-Methyl-1,3-thiazol-4-yl)benzoic Acid appears promising, with ongoing research uncovering novel uses and synthetic pathways. As the scientific community places greater emphasis on molecular diversity and structure-based design, this compound will likely maintain its importance in chemical research and development. Its combination of a benzoic acid scaffold with a thiazole heterocycle offers a unique platform for innovation in multiple scientific and industrial domains.

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