1,1,2-三甲基-1H-苯并[e]吲哚化学性质熔点:111-117°C沸点:338.66°C(roughestimate)密度:0.7折射率:1.5720(estimate)储存条件:Inertatmosphere,RoomTemperature溶解度:insoluble(20°C)形态:CrystallinePowdChemicalbooker酸度系数(pKa):5.77±0.40(Predicted)颜色:Yellowtobrown水溶解性:insoluble(20ºC)BRN:153709InChI:InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
*The following content is generated by AI and is for reference only.
1,1,2-Trimethyl-1H-benz[e]indole is a specialized heterocyclic organic compound belonging to the broader class of indole derivatives. With a molecular formula of C15H13N and a CAS Registry Number of 60984-78-7, this molecule features a fused polycyclic structure combining a benzene ring with an indole core, substituted specifically at the first and second positions with methyl groups. The chemical architecture provides unique electronic properties, making it a valuable intermediate in advanced organic synthesis and pharmaceutical research.
In industrial and academic applications, 1,1,2-trimethyl-1H-benz[e]indole serves primarily as a precursor for the development of novel bioactive agents. Its structural similarity to naturally occurring alkaloids suggests potential utility in medicinal chemistry, particularly in the design of compounds targeting neurological disorders or cancer therapies. Researchers utilize this substance to explore structure-activity relationships (SAR), aiming to optimize drug potency while minimizing toxicity. Furthermore, due to its conjugated pi-system, it exhibits interesting photophysical characteristics, which may be leveraged in the creation of fluorescent probes or organic electronic materials such as light-emitting diodes (OLEDs).
The compound is typically synthesized through multi-step organic reactions involving cyclization and alkylation processes under controlled conditions. While not a commodity chemical available for general consumer use, it is supplied by specialized chemical vendors for laboratory-scale research purposes. Handling requires adherence to standard safety protocols, including the use of personal protective equipment, as with most synthetic organic intermediates. It is crucial to note that specific biological activities and toxicity profiles can vary depending on purity and exact substitution patterns, necessitating rigorous characterization via spectroscopic methods like NMR and mass spectrometry before application. As the field of heterocyclic chemistry advances, derivatives like this continue to play a pivotal role in expanding the toolkit available for drug discovery and material science innovation.
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