Cas no 78584-08-4 (4,7-Dimethyl-1,3-benzothiazol-2-amine)

4,7-Dimethyl-1,3-benzothiazol-2-amine is a benzothiazole derivative with a molecular formula of C9H10N2S. This compound features a benzothiazole core substituted with methyl groups at the 4 and 7 positions and an amine group at the 2-position. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the development of heterocyclic compounds and functional materials. The methyl substitutions enhance its stability and influence its electronic properties, making it useful in applications such as dye synthesis, coordination chemistry, and pharmaceutical research. Its well-defined structure and reactivity profile contribute to its utility in specialized chemical processes.
4,7-Dimethyl-1,3-benzothiazol-2-amine structure
78584-08-4 structure
Product Name:4,7-Dimethyl-1,3-benzothiazol-2-amine
CAS No:78584-08-4
MF:C9H10N2S
MW:178.254100322723
MDL:MFCD04971844
CID:572572
PubChem ID:2049894
Update Time:2025-05-19

4,7-Dimethyl-1,3-benzothiazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,7-Dimethylbenzo[d]thiazol-2-amine
    • 2-AMINO-4,7-DIMETHYLBENZOTHIAZOLE
    • 2-Benzothiazolamine,4,7-dimethyl-
    • 4,7-Dimethyl-benzothiazol-2-ylamine
    • 2-Benzothiazolamine,4,7-Dimethyl
    • 4,7-DiMethyl-1,3-benzothiazol-2-aMine
    • 4,7-dimethyl-1,3-benzothiazol-2-amine(SALTDATA: FREE)
    • 4,7-Dimethyl-benzothiazol-2-ylamin
    • 4,7-dimethylbenzothiazole-2-ylamine
    • F1911-0027
    • 2-Benzothiazolamine, 4,7-dimethyl-
    • PubChem21768
    • MLS000718554
    • HMS2668O06
    • STK137365
    • BBL000251
    • KM1922
    • SBB017982
    • (4,7-Dimethylbenzothiaz
    • AKOS000108243
    • SMR000290822
    • (4,7-Dimethylbenzothiazol-2-yl)amine
    • SCHEMBL106320
    • FS-2062
    • SY122826
    • EN300-12449
    • MFCD04971844
    • W11339
    • CHEMBL1730367
    • A923549
    • BB 0243970
    • 78584-08-4
    • CS-0068073
    • Z57727840
    • DTXSID50365974
    • ALBB-026833
    • 4,7-Dimethyl-1,3-benzothiazol-2-amine
    • MDL: MFCD04971844
    • Inchi: 1S/C9H10N2S/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
    • InChI Key: FHUBACQXVCSGNR-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC2C(C)=CC=C(C)C1=2

Computed Properties

  • Exact Mass: 178.05600
  • Monoisotopic Mass: 178.05646950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 174
  • 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
  • Topological Polar Surface Area: 67.2
  • XLogP3: 2.8

Experimental Properties

  • Boiling Point: 334.8°C at 760 mmHg
  • PSA: 67.15000
  • LogP: 3.07650

4,7-Dimethyl-1,3-benzothiazol-2-amine Security Information

  • Hazard Statement: H302-H315-H319-H335
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature

4,7-Dimethyl-1,3-benzothiazol-2-amine Customs Data

  • HS CODE:2934200090
  • Customs Data:

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4,7-Dimethyl-1,3-benzothiazol-2-amine Production Method

Additional information on 4,7-Dimethyl-1,3-benzothiazol-2-amine

Introduction to 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS No. 78584-08-4) and Its Emerging Applications in Chemical Biology

4,7-Dimethyl-1,3-benzothiazol-2-amine, identified by the chemical compound identifier CAS No. 78584-08-4, is a heterocyclic organic molecule that has garnered significant attention in the field of chemical biology due to its unique structural and pharmacological properties. This compound belongs to the benzothiazole family, a class of scaffolds widely recognized for their biological activity and versatility in drug design. The presence of nitrogen and sulfur atoms in its core structure imparts distinctive electronic and steric characteristics, making it a valuable building block for the development of novel therapeutic agents.

The benzothiazole ring system is a privileged motif in medicinal chemistry, exhibiting a broad spectrum of biological activities ranging from antimicrobial and anti-inflammatory effects to anticancer and antiviral properties. The specific substitution pattern in 4,7-Dimethyl-1,3-benzothiazol-2-amine enhances its potential as a pharmacophore, enabling interactions with various biological targets. Recent studies have highlighted its role in modulating enzyme activity and receptor binding, particularly in the context of neurological disorders and metabolic diseases.

In the realm of drug discovery, 4,7-Dimethyl-1,3-benzothiazol-2-amine has been explored as a precursor for synthesizing more complex derivatives with enhanced bioavailability and target specificity. Its molecular framework allows for facile functionalization at multiple positions, enabling the creation of libraries of compounds for high-throughput screening. Advanced computational methods, including molecular docking and quantum mechanical calculations, have been employed to predict the binding affinity of this compound to proteins such as kinases and transcription factors, which are pivotal in disease pathogenesis.

One of the most compelling aspects of 4,7-Dimethyl-1,3-benzothiazol-2-amine is its potential in addressing unmet medical needs. Emerging research indicates that derivatives of this compound may exhibit neuroprotective effects by inhibiting oxidative stress and neuroinflammation. These properties are particularly relevant in the context of neurodegenerative diseases such as Alzheimer's and Parkinson's disease, where modulation of neuronal survival pathways is crucial. Preclinical studies have demonstrated promising results in animal models, suggesting that further investigation could lead to the development of novel therapeutics.

The synthesis of 4,7-Dimethyl-1,3-benzothiazol-2-amine involves multi-step organic reactions that highlight its synthetic accessibility while maintaining high purity standards. Modern synthetic techniques, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been optimized to produce this compound efficiently on both laboratory and industrial scales. This accessibility is critical for pharmaceutical applications, where scalability and cost-effectiveness are key considerations.

The pharmacokinetic profile of 4,7-Dimethyl-1,3-benzothiazol-2-amine is another area of active investigation. Studies have focused on understanding its absorption, distribution, metabolism, and excretion (ADME) properties to ensure optimal therapeutic efficacy. Advances in metabolomics have revealed insights into how this compound is processed within the body, providing valuable data for designing prodrugs or analogs with improved pharmacokinetic profiles.

Recent breakthroughs in biotechnology have enabled the use of 4,7-Dimethyl-1,3-benzothiazol-2-amine as a scaffold for developing targeted therapies. By integrating it with nanoparticles or biologics such as monoclonal antibodies, researchers aim to enhance drug delivery systems for precision medicine. These innovations hold promise for treating localized diseases while minimizing systemic side effects.

The environmental impact of synthesizing and utilizing 4,7-Dimethyl-1,3-benzothiazol-2-amine is also a consideration in modern research. Green chemistry principles have been applied to develop more sustainable synthetic routes that reduce waste and energy consumption. For instance, solvent-free reactions and microwave-assisted synthesis have been explored as alternatives to traditional methods.

In conclusion,4,7-Dimethyl-1,3-benzothiazol - 2 - amine (CAS No . 78584 - 08 - 4) represents a significant advancement in chemical biology with far-reaching implications for drug discovery and therapeutic development . Its unique structural features , coupled with emerging research findings , position it as a cornerstone compound for future investigations . As scientific understanding continues to evolve , it will be exciting to witness how this molecule contributes to addressing some of humanity's most pressing health challenges .

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