Cas no 4974-18-9 (2-ethyl-1H-Indole-3-ethanamine)

2-Ethyl-1H-indole-3-ethanamine is a substituted indole derivative with potential applications in pharmaceutical and organic synthesis. Its structure features an ethyl group at the 2-position and an ethanamine side chain at the 3-position of the indole core, offering versatility as a building block for bioactive compounds. The compound may serve as an intermediate in the synthesis of serotonin analogs or other neurologically active molecules due to its structural similarity to tryptamine derivatives. Its well-defined molecular framework allows for precise modifications, making it valuable for research in medicinal chemistry and drug development. The compound is typically handled under controlled conditions due to its reactive functional groups.
2-ethyl-1H-Indole-3-ethanamine structure
4974-18-9 structure
Product Name:2-ethyl-1H-Indole-3-ethanamine
CAS No:4974-18-9
MF:C12H16N2
MW:188.268842697144
CID:1113032
Update Time:2025-05-22

2-ethyl-1H-Indole-3-ethanamine Chemical and Physical Properties

Names and Identifiers

    • 2-ethyl-1H-Indole-3-ethanamine
    • 1H-Indole-3-ethanamine, 2-ethyl-
    • Inchi: 1S/C12H16N2/c1-2-11-10(7-8-13)9-5-3-4-6-12(9)14-11/h3-6,14H,2,7-8,13H2,1H3
    • InChI Key: NFLAKEISHBZNLS-UHFFFAOYSA-N
    • SMILES: N1C2=C(C=CC=C2)C(CCN)=C1CC

Experimental Properties

  • Density: 1.099±0.06 g/cm3(Predicted)
  • Boiling Point: 357.5±27.0 °C(Predicted)
  • pka: 17.74±0.30(Predicted)

2-ethyl-1H-Indole-3-ethanamine Pricemore >>

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Enamine
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Additional information on 2-ethyl-1H-Indole-3-ethanamine

2-Ethyl-1H-Indole-3-Ethanamine: A Comprehensive Overview

The compound 2-Ethyl-1H-Indole-3-Ethanamine, identified by the CAS number 4974-18-9, is a fascinating molecule with significant applications in various fields of chemistry and pharmacology. This compound belongs to the indole family, which is renowned for its structural versatility and biological activity. The indole ring, a bicyclic structure consisting of a benzene ring fused to a pyrrole ring, forms the core of this molecule. The presence of an ethyl group at the 2-position and an ethanamine group at the 3-position introduces unique chemical properties and functional groups that make this compound highly valuable in research and development.

Recent studies have highlighted the potential of 2-Ethyl-1H-Indole-3-Ethanamine in drug discovery, particularly in the development of novel therapeutic agents. Its structural features allow for diverse interactions with biological targets, making it a promising candidate for designing molecules with specific pharmacological activities. For instance, researchers have explored its role as a precursor in the synthesis of bioactive compounds, such as kinase inhibitors and GPCR modulators, which are critical in treating various diseases including cancer and neurodegenerative disorders.

The synthesis of 2-Ethyl-1H-Indole-3-Ethanamine has been optimized through innovative methodologies that enhance yield and purity. One notable approach involves the use of catalytic asymmetric synthesis, which not only streamlines the production process but also ensures the formation of enantiomerically pure products. This advancement is particularly important for pharmaceutical applications where stereochemistry plays a pivotal role in determining efficacy and safety.

In terms of physical properties, 2-Ethyl-1H-indole-based compounds exhibit interesting behavior under different conditions. For example, their solubility profiles vary significantly depending on the substituents attached to the indole ring. The ethanamine group at position 3 introduces basicity, which can influence both chemical reactivity and biological interactions. This makes CAS No. 4974-18-based compounds ideal for studying structure-property relationships in medicinal chemistry.

The application of computational chemistry tools has further enriched our understanding of 2-Ethyl-indole-related compounds. Advanced molecular modeling techniques have enabled researchers to predict binding affinities, optimize molecular designs, and simulate biological interactions at an unprecedented level. These computational insights have significantly accelerated drug discovery processes by reducing reliance on time-consuming experimental trials.

In conclusion, 2-Ethyl-indole-based compounds like CAS No. 4974 represent a vital area of research with immense potential for advancing therapeutic interventions. Their unique chemical properties, coupled with cutting-edge synthetic and computational methodologies, position them as key players in modern drug development.

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