Cas no 1176414-95-1 (7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline)

7-Bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is a brominated tetrahydroisoquinoline derivative with significant utility in organic synthesis and pharmaceutical research. Its structure features a bromine substituent at the 7-position and a methyl group at the 1-position, enhancing its reactivity for further functionalization. This compound serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of alkaloid-based pharmaceuticals. The bromine moiety facilitates cross-coupling reactions, enabling efficient derivatization. Its stable tetrahydroisoquinoline core ensures compatibility with a range of reaction conditions. This product is characterized by high purity and consistent quality, making it suitable for rigorous research applications.
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline structure
1176414-95-1 structure
Product Name:7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
CAS No:1176414-95-1
MF:C10H12BrN
MW:226.112981796265
MDL:MFCD18306484
CID:2189700
PubChem ID:58416422
Update Time:2025-06-12

7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 7-Bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline oxalate
    • 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline
    • BXB41495
    • SCHEMBL1011034
    • 7-Bromo-1-methyl-1,2,3,4-tetrahydro-isoquinoline
    • XACRZPKKWVBSHB-UHFFFAOYSA-N
    • EN300-190988
    • MFCD18306484
    • SY253755
    • F30913
    • AKOS012576255
    • 1176414-95-1
    • MDL: MFCD18306484
    • Inchi: 1S/C10H12BrN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-3,6-7,12H,4-5H2,1H3
    • InChI Key: XACRZPKKWVBSHB-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2CCNC(C)C=2C=1

Computed Properties

  • Exact Mass: 225.01531g/mol
  • Monoisotopic Mass: 225.01531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 12?2

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Additional information on 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-Bromo-1-Methyl-1,2,3,4-Tetrahydroisoquinoline (CAS No. 1176414-95-1): An Overview

7-Bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline (CAS No. 1176414-95-1) is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of tetrahydroisoquinolines, which are known for their diverse biological activities and potential therapeutic applications. The presence of the bromine and methyl groups in its structure imparts unique chemical and biological properties, making it a valuable candidate for various research endeavors.

The chemical structure of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is characterized by a tetrahydroisoquinoline core with a bromine substituent at the 7-position and a methyl group at the 1-position. This specific arrangement of functional groups has been shown to influence the compound's reactivity and biological activity. Recent studies have highlighted the importance of these substituents in modulating the compound's interactions with biological targets, such as enzymes and receptors.

In the context of medicinal chemistry, 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline has been explored for its potential as a lead compound in drug discovery. One notable area of research is its role as an inhibitor of specific enzymes involved in various disease pathways. For instance, studies have demonstrated that this compound can effectively inhibit the activity of certain kinases, which are key players in signal transduction pathways associated with cancer and inflammatory diseases.

Additionally, 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline has shown promise in neuropharmacology. Research has indicated that it can modulate the activity of neurotransmitter receptors, particularly those involved in the regulation of mood and cognition. This makes it a potential candidate for the development of new treatments for neurological disorders such as depression and anxiety.

The synthesis of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline involves several well-established chemical reactions. One common approach is to start with a suitable precursor molecule and introduce the bromine and methyl groups through selective substitution reactions. The choice of synthetic route can significantly impact the yield and purity of the final product. Recent advancements in synthetic methods have led to more efficient and environmentally friendly processes for producing this compound.

In terms of pharmacokinetics, 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline exhibits favorable properties that make it suitable for in vivo studies. Its solubility and stability in physiological conditions have been optimized through various modifications to its chemical structure. These properties are crucial for ensuring that the compound can be effectively delivered to target tissues and maintain its activity over time.

Clinical trials involving 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline-based drugs are still in their early stages. However, preliminary results have been promising. Phase I trials have demonstrated that the compound is well-tolerated by human subjects at therapeutic doses. Further studies are underway to evaluate its efficacy in treating specific diseases and to identify any potential side effects.

The safety profile of 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline is an important consideration in its development as a pharmaceutical agent. Preclinical toxicology studies have shown that it has a low toxicity profile when administered at therapeutic concentrations. However, ongoing research is necessary to fully understand its long-term effects and any potential interactions with other drugs or biological systems.

In conclusion, 7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline (CAS No. 1176414-95-1) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and biological activities make it an attractive candidate for further investigation and development as a therapeutic agent. As research continues to advance our understanding of this compound's properties and mechanisms of action, it holds significant potential to contribute to the treatment of various diseases.

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