Cas no 1267032-80-3 (7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline)

7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is a tetrahydroisoquinoline derivative with a substituted ethyl and dimethyl group at the 7- and 4-positions, respectively. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and bioactive molecules. Its rigid tetracyclic structure enhances stability, making it suitable for further functionalization. The ethyl and dimethyl substitutions contribute to steric and electronic modulation, which can influence reactivity and binding properties in target applications. This compound is commonly utilized in medicinal chemistry research for the design of alkaloid-based compounds, offering a versatile scaffold for exploring structure-activity relationships. High purity and well-defined synthetic routes ensure reproducibility in research and industrial applications.
7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline structure
1267032-80-3 structure
Product Name:7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CAS No:1267032-80-3
MF:C13H19N
MW:189.29666352272
CID:1031294
PubChem ID:71304035
Update Time:2025-05-19

7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
    • 7-ethyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
    • SCHEMBL20910265
    • DB-318317
    • J-519237
    • DTXSID80745169
    • 1267032-80-3
    • Inchi: 1S/C13H19N/c1-4-10-5-6-12-11(7-10)8-14-9-13(12,2)3/h5-7,14H,4,8-9H2,1-3H3
    • InChI Key: IBJUAJGXCDCPBL-UHFFFAOYSA-N
    • SMILES: N1CC2C=C(CC)C=CC=2C(C)(C)C1

Computed Properties

  • Exact Mass: 189.151749610g/mol
  • Monoisotopic Mass: 189.151749610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 197
  • 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
  • XLogP3: 3
  • Topological Polar Surface Area: 12?2

7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline Pricemore >>

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Additional information on 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline: A Comprehensive Overview

7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CAS No. 1267032-80-3) is a complex organic compound with a unique structure that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of tetrahydroisoquinolines, which are known for their diverse biological activities and potential applications in drug discovery. The molecule features a bicyclic framework with a substituted ethyl group at the 7-position and two methyl groups at the 4-position, contributing to its distinct chemical properties.

The tetrahydroisoquinoline core of this compound is a derivative of isoquinoline, a heterocyclic aromatic compound with two nitrogen atoms in its structure. The reduction of isoquinoline leads to the formation of tetrahydroisoquinoline derivatives, which are often studied for their ability to act as precursors in the synthesis of various bioactive molecules. The presence of ethyl and methyl substituents in 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline introduces steric and electronic effects that can influence its reactivity and biological interactions.

Recent studies have highlighted the potential of 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline as a building block in medicinal chemistry. Researchers have explored its role in the development of novel therapeutic agents targeting various diseases, including cancer and neurodegenerative disorders. For instance, investigations into its ability to modulate enzyme activity or interact with specific receptors have provided valuable insights into its pharmacological profile.

The synthesis of 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline typically involves multi-step organic reactions that require precise control over reaction conditions to achieve high yields and purity. Common methods include nucleophilic substitutions or reductions of isoquinoline derivatives under catalytic hydrogenation conditions. The introduction of substituents at specific positions on the ring system is critical for optimizing the compound's desired properties.

In terms of applications, 7-Ethyl-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline has shown promise in drug delivery systems due to its ability to enhance drug solubility and bioavailability. Additionally, it has been utilized as an intermediate in the synthesis of more complex molecules with enhanced biological activity. Its structural versatility makes it a valuable tool in both academic research and industrial chemical development.

From an environmental perspective, understanding the degradation pathways and ecological impact of 7-Ethyl-4,4-dimethyl-1,2,tetrahydroisoquinoline is essential for ensuring sustainable chemical practices. Studies have been conducted to assess its biodegradability under various conditions and its potential toxicity to aquatic organisms.

In conclusion,7-Ethyl-4,tetramethyltetrahydroisoquinoline (CAS No.) represents a significant advancement in organic chemistry with wide-ranging applications across multiple disciplines. Its unique structure and functional groups make it an attractive candidate for further research into novel drug development and chemical innovation.

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