Cas no 21573-62-6 (3-methyl-2,3-dihydro-1H-indole hydrochloride)

3-methyl-2,3-dihydro-1H-indole hydrochloride structure
21573-62-6 structure
Product Name:3-methyl-2,3-dihydro-1H-indole hydrochloride
CAS No:21573-62-6
MF:C9H12ClN
MW:169.651281356812
MDL:MFCD16295162
CID:1082592
PubChem ID:53484681
Update Time:2025-04-23

3-methyl-2,3-dihydro-1H-indole hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Methylindoline hydrochloride
    • 3-methyl-2,3-dihydro-1H-indole,hydrochloride
    • 3-methyl-2,3-dihydro-1H-indole hydrochloride
    • SCHEMBL13387451
    • AKOS015922933
    • I11746
    • SB64114
    • 3-METHYL-2,3-DIHYDROINDOLE-HCl
    • 3-Methyl-2,3-dihydroindole hydrochloride
    • SY205361
    • 3-Methylindoline HCL
    • F8889-9405
    • KAYUCMTXXRDGCI-UHFFFAOYSA-N
    • 21573-62-6
    • MFCD16295162
    • 3-methyl-2,3-dihydro-1H-indole;hydrochloride
    • A826414
    • EN300-256920
    • AMY5036
    • DB-395247
    • MDL: MFCD16295162
    • Inchi: 1S/C9H11N.ClH/c1-7-6-10-9-5-3-2-4-8(7)9;/h2-5,7,10H,6H2,1H3;1H
    • InChI Key: KAYUCMTXXRDGCI-UHFFFAOYSA-N
    • SMILES: Cl.N1C2C=CC=CC=2C(C)C1

Computed Properties

  • Exact Mass: 169.0658271g/mol
  • Monoisotopic Mass: 169.0658271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 122
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12?2

3-methyl-2,3-dihydro-1H-indole hydrochloride Pricemore >>

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Additional information on 3-methyl-2,3-dihydro-1H-indole hydrochloride

Introduction to 3-Methylindoline Hydrochloride (CAS No. 21573-62-6)

3-Methylindoline Hydrochloride, with the chemical formula C9H11N·HCl, is a significant compound in the field of pharmaceutical and biochemical research. This compound has garnered attention due to its versatile applications in drug development, particularly in the synthesis of bioactive molecules. The hydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in various chemical processes.

The structure of 3-Methylindoline Hydrochloride consists of an indoline core substituted with a methyl group at the 3-position, further modified by a hydrochloride ion. This unique structural motif contributes to its reactivity and interaction with biological targets, positioning it as a key building block in medicinal chemistry. The compound’s ability to undergo various functionalization reactions allows researchers to tailor its properties for specific applications.

In recent years, 3-Methylindoline Hydrochloride has been extensively studied for its potential in the development of novel therapeutic agents. Its indoline scaffold is known to exhibit pharmacological activity across multiple domains, including anti-inflammatory, antimicrobial, and anticancer effects. Current research focuses on leveraging this compound’s structural features to design molecules with enhanced efficacy and reduced side effects.

One of the most compelling aspects of 3-Methylindoline Hydrochloride is its role in the synthesis of small-molecule inhibitors targeting protein-protein interactions. These interactions are crucial in many biological pathways and are often implicated in diseases such as cancer and neurodegenerative disorders. By designing derivatives of 3-Methylindoline Hydrochloride, scientists aim to disrupt these interactions and modulate disease progression.

Recent advancements in computational chemistry have enabled more precise predictions of the binding affinity and pharmacokinetic properties of 3-Methylindoline Hydrochloride derivatives. Machine learning models, trained on large datasets of bioactive compounds, have shown promise in identifying optimal modifications to enhance drug-like characteristics. This computational approach complements traditional experimental methods, accelerating the discovery pipeline.

The pharmaceutical industry has also explored 3-Methylindoline Hydrochloride as a precursor for more complex molecules. Its structural framework can be modified through various reactions, such as alkylation, acylation, and sulfonylation, to introduce diverse functional groups. These modifications not only expand its utility but also provide insights into structure-activity relationships (SAR), guiding the optimization of lead compounds.

Moreover, 3-Methylindoline Hydrochloride has found applications in materials science beyond pharmaceuticals. Its ability to form stable complexes with metal ions makes it useful in catalysis and coordination chemistry. Researchers are investigating its potential as a ligand in transition metal-catalyzed reactions, which could lead to greener and more efficient synthetic pathways.

Environmental considerations have also driven interest in 3-Methylindoline Hydrochloride as a sustainable chemical intermediate. Efforts are underway to develop synthetic routes that minimize waste and energy consumption. Green chemistry principles are being applied to optimize processes, ensuring that the production of this compound aligns with global sustainability goals.

The future prospects of 3-Methylindoline Hydrochloride appear promising, with ongoing research uncovering new applications and refining existing ones. As our understanding of biological systems grows, so does the demand for innovative molecular tools like this compound. Collaborative efforts between academia and industry will be crucial in translating laboratory discoveries into tangible therapeutic benefits.

In conclusion, 3-Methylindoline Hydrochloride (CAS No. 21573-62-6) stands as a versatile and indispensable compound in modern chemical research. Its unique structural properties and broad applicability make it a cornerstone in drug discovery and material science. As advancements continue to unfold, this compound is poised to play an even greater role in addressing some of the most pressing challenges in medicine and technology.

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