Cas no 3364-37-2 (4-(1H-indol-3-yl)butan-1-ol)

4-(1H-Indol-3-yl)butan-1-ol is a versatile indole derivative with a hydroxyl-terminated butyl side chain, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its structure combines the indole scaffold, known for its biological significance, with a flexible aliphatic linker, enhancing its utility in derivatization and conjugation reactions. This compound is particularly useful in the synthesis of tryptamine analogs, bioactive molecules, and fluorescent probes. The hydroxyl group provides a reactive handle for further functionalization, enabling the creation of esters, ethers, or other modified derivatives. Its stability and solubility in common organic solvents facilitate handling in laboratory settings, supporting applications in medicinal chemistry and material science.
4-(1H-indol-3-yl)butan-1-ol structure
4-(1H-indol-3-yl)butan-1-ol structure
Product Name:4-(1H-indol-3-yl)butan-1-ol
CAS No:3364-37-2
MF:C12H15NO
MW:189.253603219986
CID:1111095
PubChem ID:11171478
Update Time:2025-10-11

4-(1H-indol-3-yl)butan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-butanol
    • 1-hydroxy-4-(3-indolyl)butane
    • 4-(1H-indol-3-yl)butan-1-ol
    • SCHEMBL734204
    • EN300-139567
    • 3364-37-2
    • 4-(indol-3-yl)butan-1-ol
    • 4-(3-indolyl)-1-butanol
    • IGLKHWVIJCQODS-UHFFFAOYSA-N
    • DB-262533
    • 4-(1H-Indol-3-yl)-butan-1-ol
    • MDL: MFCD09999319
    • Inchi: 1S/C12H15NO/c14-8-4-3-5-10-9-13-12-7-2-1-6-11(10)12/h1-2,6-7,9,13-14H,3-5,8H2
    • InChI Key: IGLKHWVIJCQODS-UHFFFAOYSA-N
    • SMILES: OCCCCC1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 189.115364102g/mol
  • Monoisotopic Mass: 189.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 172
  • 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: 2.5
  • Topological Polar Surface Area: 36?2

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Additional information on 4-(1H-indol-3-yl)butan-1-ol

Compound CAS No. 3364-37-2: 4-(1H-indol-3-yl)butan-1-ol

The compound with CAS No. 3364-37-2, commonly referred to as 4-(1H-indol-3-yl)butan-1-ol, is an organic molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines an indole ring with a butanol group, making it a versatile molecule with potential applications in drug discovery and material science.

Indole, a heterocyclic aromatic compound, is a key structural component of 4-(1H-indol-3-yl)butan-1-ol. The indole moiety is known for its ability to participate in various hydrogen bonding interactions and π–π stacking, which are crucial for molecular recognition and binding in biological systems. The butanol group, on the other hand, introduces hydroxyl functionality, enhancing the molecule's solubility and reactivity. This combination makes 4-(1H-indol-3-yl)butan-1 ol a promising candidate for studying bioavailability and drug delivery mechanisms.

Recent studies have explored the biological activity of 4-(1H-indol -3 yl)butan -1 ol, particularly its potential as a lead compound in the development of new pharmaceutical agents. Researchers have investigated its ability to modulate cellular signaling pathways, such as the MAPK/ERK pathway, which is implicated in various diseases including cancer and neurodegenerative disorders. Preliminary findings suggest that this compound may exhibit anti-proliferative effects on certain cancer cell lines, making it a valuable tool for further exploration in oncology research.

In addition to its pharmacological applications, 4-(1H-indol -3 yl)butan -1 ol has also been studied for its role in chemical synthesis. Its indole ring can serve as a scaffold for constructing more complex molecules, enabling the creation of novel bioactive compounds with enhanced therapeutic potential. This versatility underscores the importance of understanding the synthesis and properties of this compound in advancing both academic research and industrial applications.

From a synthetic perspective, 4-(1H-indol -3 yl)butan -1 ol can be prepared through various routes, including nucleophilic aromatic substitution and cross-coupling reactions. These methods not only highlight the molecule's synthetic accessibility but also provide opportunities for functionalizing it with additional groups to tailor its properties for specific applications. For instance, introducing electron-withdrawing or donating groups can modulate the molecule's electronic characteristics, influencing its reactivity and bioavailability.

Moreover, computational studies have been conducted to predict the physicochemical properties of 4-(1H-indol -3 yl)butan -1 ol, such as its solubility, permeability, and binding affinity to target proteins. These insights are critical for designing experiments and optimizing formulations in preclinical studies. Computational modeling has also been instrumental in identifying potential off-target effects, which is essential for minimizing adverse effects in drug development.

Looking ahead, the continued investigation of CAS No. 3364 - 37 - 2 will undoubtedly contribute to our understanding of indole-containing compounds and their role in therapeutic interventions. As research progresses, it is anticipated that this compound will serve as a valuable tool for advancing both fundamental chemical knowledge and practical applications in medicine and beyond.

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