Cas no 1185030-61-8 (8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride)

8-Fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride is a fluorinated tetrahydroisoquinoline derivative with significant utility in pharmaceutical and organic synthesis. The fluorine substitution enhances its reactivity and binding affinity, making it a valuable intermediate for developing bioactive compounds, particularly in CNS-targeted drug discovery. Its hydrochloride salt form improves stability and solubility, facilitating handling and storage. This compound is often employed in the synthesis of analogs with potential therapeutic applications, such as enzyme inhibitors or receptor modulators. High purity and consistent quality ensure reliable performance in research and industrial applications. Its structural versatility allows for further functionalization, supporting diverse synthetic pathways.
8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride structure
1185030-61-8 structure
Product Name:8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No:1185030-61-8
MF:C9H11ClFN
MW:187.641744852066
MDL:MFCD08461269
CID:1003989
PubChem ID:45074043
Update Time:2025-05-24

8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 8-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL
    • 8-Fluoro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
    • 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
    • SCHEMBL2258194
    • AKOS024015346
    • CS-0308539
    • SB31064
    • DTXSID20662886
    • Z1198179884
    • 8-Fluoro-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
    • 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
    • AS-32879
    • AMY32571
    • DB-012221
    • 8-fluoro-1,2,3,4-tetrahydroisoquinolinehydrochloride
    • MFCD08461269
    • 1185030-61-8
    • EN300-123734
    • 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride
    • MDL: MFCD08461269
    • Inchi: 1S/C9H10FN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
    • InChI Key: XUNYWMOWUBYEHA-UHFFFAOYSA-N
    • SMILES: Cl.FC1=CC=CC2=C1CNCC2

Computed Properties

  • Exact Mass: 187.0564052g/mol
  • Monoisotopic Mass: 187.0564052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 138
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12?2

8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride Pricemore >>

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Additional information on 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Introduction to 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS No. 1185030-61-8)

8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS No. 1185030-61-8) is a fluorinated derivative of tetrahydroisoquinoline, a class of compounds that has garnered significant attention in the field of pharmaceutical chemistry due to its diverse biological activities. This compound is particularly of interest for its potential applications in the development of novel therapeutic agents. The introduction of a fluorine atom into the tetrahydroisoquinoline scaffold enhances its pharmacological properties, making it a valuable scaffold for drug discovery and development.

The structure of 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride features a bicyclic system consisting of a benzene ring fused to a piperidine ring. The presence of a fluorine substituent at the 8-position introduces electrophilicity and lipophilicity, which can modulate its interactions with biological targets. This structural feature has been leveraged in various pharmacological studies to improve binding affinity and metabolic stability.

In recent years, there has been growing interest in the development of fluorinated tetrahydroisoquinolines as pharmacophores due to their ability to enhance drug-like properties such as solubility, bioavailability, and metabolic stability. The fluorine atom at the 8-position in 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride plays a crucial role in these properties by influencing both electronic and steric factors.

One of the most compelling aspects of 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride is its potential as an intermediate in the synthesis of more complex bioactive molecules. Researchers have utilized this compound as a building block to develop novel scaffolds with enhanced pharmacological profiles. For instance, derivatives of this compound have been explored for their potential in treating neurological disorders such as Parkinson's disease and Alzheimer's disease.

The biological activity of 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride has been extensively studied in various preclinical models. Preliminary findings suggest that this compound exhibits potent activity against certain enzymes and receptors involved in neurodegenerative diseases. The fluorine substitution at the 8-position appears to enhance binding affinity to these targets, leading to improved therapeutic efficacy.

Recent advancements in computational chemistry have enabled researchers to predict the binding modes and interactions of 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride with biological targets with greater accuracy. These computational studies have provided valuable insights into how the fluorine atom influences the compound's pharmacological properties. By understanding these interactions at a molecular level, researchers can design more effective derivatives with improved therapeutic profiles.

The synthesis of 8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride involves multi-step organic transformations that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies have been employed to streamline the process and improve scalability. These methods include transition-metal-catalyzed reactions and enantioselective synthesis techniques that enhance the overall efficiency of production.

In conclusion,8-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS No. 1185030-61-8) is a promising compound with significant potential in pharmaceutical research and drug development. Its unique structural features and biological activities make it an attractive candidate for further exploration in therapeutic applications. As research continues to uncover new insights into its pharmacological properties,this compound is likely to play an increasingly important role in the discovery and development of novel therapeutics.

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