Cas no 7661-60-1 (1-Ethylisoquinoline)

1-Ethylisoquinoline is a heterocyclic organic compound featuring an ethyl substituent on the isoquinoline backbone. This structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and agrochemical research as a versatile intermediate. Its aromatic nitrogen-containing framework enables applications in coordination chemistry, where it acts as a ligand for metal complexes. The ethyl group enhances solubility in organic solvents, facilitating synthetic modifications. Additionally, 1-ethylisoquinoline serves as a precursor for bioactive molecules, including alkaloid derivatives, due to its stable and reactive quinoline core. Its well-defined chemical behavior and compatibility with various reaction conditions underscore its utility in advanced organic synthesis.
1-Ethylisoquinoline structure
1-Ethylisoquinoline structure
Product Name:1-Ethylisoquinoline
CAS No:7661-60-1
MF:C11H11N
MW:157.211742639542
CID:562166
PubChem ID:593686
Update Time:2025-05-25

1-Ethylisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 1-Ethylisoquinoline
    • Isoquinoline, 1-ethyl-
    • 1-Aethyl-isochinolin
    • 1-ethyl-isoquinoline
    • Isoquinoline,1-ethyl
    • BS-49540
    • A838768
    • SCHEMBL873259
    • AKOS015842896
    • CS-0199469
    • FT-0729819
    • E78290
    • DTXSID80343987
    • 7661-60-1
    • DB-000533
    • MDL: MFCD11870746
    • Inchi: 1S/C11H11N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-8H,2H2,1H3
    • InChI Key: UBDYMAZEEMMDCG-UHFFFAOYSA-N
    • SMILES: N1C=CC2C=CC=CC=2C=1CC

Computed Properties

  • Exact Mass: 157.08900
  • Monoisotopic Mass: 157.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.9
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 2.79720

1-Ethylisoquinoline Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline 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%

1-Ethylisoquinoline Pricemore >>

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Additional information on 1-Ethylisoquinoline

Introduction to 1-Ethylisoquinoline (CAS No: 7661-60-1)

1-Ethylisoquinoline is a heterocyclic organic compound with the CAS registry number 7661-60-1. It belongs to the isoquinoline family, which is a class of compounds characterized by a bicyclic structure consisting of a benzene ring fused to a pyridine ring. The isoquinoline skeleton is widely found in natural products and has been extensively studied for its potential applications in pharmaceuticals, agrochemicals, and materials science.

The isoquinoline core of 1-Ethylisoquinoline is derived from the natural alkaloid isoquinoline, which is known for its diverse biological activities. The substitution at the 1-position with an ethyl group introduces additional chemical versatility, making 1-Ethylisoquinoline a valuable intermediate in organic synthesis. Recent studies have highlighted its role as a precursor in the synthesis of various bioactive compounds, including antitumor agents and enzyme inhibitors.

One of the most significant advancements in the study of 1-Ethylisoquinoline involves its application in medicinal chemistry. Researchers have explored its potential as a scaffold for designing new drugs targeting various diseases, including cancer and neurodegenerative disorders. For instance, a 2023 study published in *Journal of Medicinal Chemistry* demonstrated that derivatives of 1-Ethylisoquinoline exhibit potent inhibitory activity against certain kinases involved in cancer cell proliferation.

In addition to its pharmaceutical applications, 1-Ethylisoquinoline has also gained attention in the field of materials science. Its unique electronic properties make it a promising candidate for use in organic electronics, such as light-emitting diodes (LEDs) and solar cells. A recent breakthrough reported in *Nature Communications* showcased how 1-Ethylisoquinoline-based materials can enhance the efficiency of organic photovoltaic devices by improving charge transport properties.

The synthesis of 1-Ethylisoquinoline has been optimized over the years, with modern methods focusing on green chemistry principles to minimize environmental impact. One notable approach involves the use of microwave-assisted synthesis, which not only accelerates the reaction process but also reduces energy consumption. This method has been widely adopted in both academic and industrial settings, underscoring the compound's importance in contemporary chemical research.

Furthermore, the structural flexibility of 1-Ethylisoquinoline allows for easy functionalization, enabling chemists to tailor its properties for specific applications. For example, recent studies have explored the incorporation of electron-withdrawing groups to enhance its photovoltaic performance or electron-donating groups to improve its biocompatibility.

In conclusion, 1-Ethylisoquinoline (CAS No: 7661-60-1) stands as a versatile and valuable compound with a wide range of applications across multiple disciplines. Its role as a building block in organic synthesis, coupled with its promising results in medicinal and materials science research, positions it as a key compound for future innovations. As ongoing studies continue to uncover new potentials for this compound, it is expected to play an increasingly important role in both academic research and industrial applications.

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