Cas no 478169-65-2 (Methyl BenzoDthiazole-5-carboxylate)

Methyl Benzo[d]thiazole-5-carboxylate is a heterocyclic ester compound featuring a benzothiazole core with a carboxylate functional group at the 5-position. This structure imparts versatility in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and materials science applications. The methyl ester group enhances solubility and reactivity, facilitating further derivatization. Its benzothiazole moiety contributes to potential biological activity, making it valuable in medicinal chemistry research. The compound exhibits stability under standard handling conditions and is compatible with a range of reaction conditions. Its well-defined molecular structure allows for precise modifications, supporting its use in the development of specialized intermediates.
Methyl BenzoDthiazole-5-carboxylate structure
478169-65-2 structure
Product Name:Methyl BenzoDthiazole-5-carboxylate
CAS No:478169-65-2
MF:C9H7NO2S
MW:193.222380876541
MDL:MFCD13176732
CID:877008
PubChem ID:22610014
Update Time:2025-08-05

Methyl BenzoDthiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl benzo[d]thiazole-5-carboxylate
    • 5-Benzothiazolecarboxylic acid methyl ester
    • Methyl 1,3-benzothiazole-5-carboxylate
    • AB66619
    • AG-F-62666
    • AK120025
    • CTK4J0349
    • SureCN1538274
    • 478169-65-2
    • MFCD13176732
    • DTXSID60626907
    • EN300-729543
    • BENZOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
    • 5-Benzothiazolecarboxylicacid,methylester(9CI)
    • BS-49752
    • Methylbenzo[d]thiazole-5-carboxylate
    • DA-37972
    • 5-BENZOTHIAZOLECARBOXYLIC ACID, METHYL ESTER
    • CS-0197243
    • F14217
    • SCHEMBL1538274
    • UQGOTDUTYINDJD-UHFFFAOYSA-N
    • Methyl BenzoDthiazole-5-carboxylate
    • MDL: MFCD13176732
    • Inchi: 1S/C9H7NO2S/c1-12-9(11)6-2-3-8-7(4-6)10-5-13-8/h2-5H,1H3
    • InChI Key: UQGOTDUTYINDJD-UHFFFAOYSA-N
    • SMILES: S1C=NC2C=C(C(=O)OC)C=CC1=2

Computed Properties

  • Exact Mass: 193.01974964g/mol
  • Monoisotopic Mass: 193.01974964g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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: 2.2
  • Topological Polar Surface Area: 67.4?2

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Methyl BenzoDthiazole-5-carboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:478169-65-2)Methyl BenzoDthiazole-5-carboxylate
Order Number:A1184335
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:54
Price ($):184.0

Additional information on Methyl BenzoDthiazole-5-carboxylate

Methyl Benzo[d]thiazole-5-carboxylate (CAS No. 478169-65-2): A Key Intermediate in Modern Pharmaceutical Research

Methyl Benzo[d]thiazole-5-carboxylate, identified by its unique Chemical Abstracts Service (CAS) number 478169-65-2, is a significant intermediate in the realm of pharmaceutical chemistry. This compound, featuring a fused benzo[d]thiazole core, has garnered considerable attention due to its versatile applications in drug discovery and molecular synthesis. The benzo[d]thiazole scaffold is particularly noteworthy for its presence in numerous bioactive molecules, making it a cornerstone in the development of novel therapeutic agents.

The structural integrity of Methyl Benzo[d]thiazole-5-carboxylate is characterized by a benzene ring fused to a thiazole ring, with a carboxylate ester group at the 5-position and a methyl group at the 2-position. This configuration imparts unique electronic and steric properties, enabling its utility in diverse chemical transformations. The carboxylate moiety, in particular, facilitates further functionalization, making it an invaluable building block for medicinal chemists.

In recent years, the pharmaceutical industry has witnessed a surge in the exploration of heterocyclic compounds, with benzo[d]thiazoles being among the most studied scaffolds. Research indicates that these compounds exhibit a broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. Methyl Benzo[d]thiazole-5-carboxylate, with its well-defined structure, serves as a precursor for synthesizing derivatives that target specific biological pathways.

One of the most compelling aspects of Methyl Benzo[d]thiazole-5-carboxylate is its role in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling and are often implicated in various diseases, including cancer. By modifying the benzo[d]thiazole core, researchers can fine-tune the pharmacokinetic and pharmacodynamic properties of potential drug candidates. For instance, studies have demonstrated that derivatives of Methyl Benzo[d]thiazole-5-carboxylate can selectively inhibit certain kinases while minimizing off-target effects.

Moreover, the compound has shown promise in the field of immunomodulation. Emerging research suggests that benzo[d]thiazole derivatives can modulate immune responses by interacting with various immune receptors. This has opened up new avenues for treating autoimmune diseases and enhancing vaccine efficacy. The carboxylate group in Methyl Benzo[d]thiazole-5-carboxylate provides a handle for further derivatization, allowing chemists to explore novel immunomodulatory agents.

The synthesis of Methyl Benzo[d]thiazole-5-carboxylate typically involves multi-step organic reactions, starting from readily available precursors. Advanced synthetic methodologies have been developed to improve yield and purity, ensuring that pharmaceutical-grade material is obtained. These methods often incorporate palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations, which are essential for constructing complex heterocyclic frameworks efficiently.

In addition to its pharmaceutical applications, Methyl Benzo[d]thiazole-5-carboxylate finds utility in materials science and agrochemical research. Its ability to serve as a precursor for polymers and specialty chemicals underscores its versatility beyond traditional drug development. Researchers are exploring its potential in creating advanced materials with unique properties, such as enhanced thermal stability or biodegradability.

The regulatory landscape for compounds like Methyl Benzo[d]thiazole-5-carboxylate is stringent but well-established, ensuring that they meet rigorous safety and efficacy standards before entering clinical trials. Manufacturers must adhere to Good Manufacturing Practices (GMP) and undergo extensive testing to validate their compositions and purity. This rigorous oversight guarantees that only high-quality intermediates are used in drug development pipelines.

Future directions in the study of Methyl Benzo[d]thiazole-5-carboxylate include exploring its potential as an antiviral agent. Preliminary studies have hinted at its ability to interfere with viral replication by inhibiting key enzymes involved in viral metabolism. As the world continues to grapple with emerging infectious diseases, such findings hold significant promise for developing novel antiviral therapies.

Collaborative efforts between academia and industry are crucial for advancing the research and application of Methyl Benzo[d]thiazole-5-carboxylate. Such partnerships facilitate the rapid translation of laboratory discoveries into clinical applications, benefiting patients worldwide. The compound's multifaceted utility makes it a valuable asset in the pharmaceutical toolkit, driving innovation across multiple therapeutic areas.

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Amadis Chemical Company Limited
(CAS:478169-65-2)Methyl BenzoDthiazole-5-carboxylate
A1184335
Purity:99%
Quantity:5g
Price ($):184.0
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