Cas no 3785-01-1 (Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1))

Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) is a quaternary ammonium compound featuring a conjugated ethenyl bridge and dimethylamino substituent. Its structure imparts notable photophysical properties, making it useful in optoelectronic applications and as a fluorescent probe. The iodide counterion enhances solubility in polar solvents, facilitating its integration into functional materials and spectroscopic studies.
Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) structure
3785-01-1 structure
Product Name:Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
CAS No:3785-01-1
MF:C17H21IN2
MW:380.266516447067
MDL:MFCD00011994
CID:296498
PubChem ID:329798640
Update Time:2025-06-19

Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)
    • 2-(4-(Dimethylamino)Styryl)-N-Ethylpyridinium Iodide
    • 2-[4-(Dimethylamino)styryl]-1-ethylpyridinium iodide
    • DASPEI
    • DASPEI [2-(4-(Dimethylamino)styryl)-1-ethylpyridinium iodide]
    • 4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline,iodide
    • GNF-Pf-1399
    • GNF-Pf-2708
    • GNF-Pf-4643
    • MDL: MFCD00011994
    • Inchi: 1S/C17H21N2.HI/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1
    • InChI Key: AMAXNNVXIBDEMV-UHFFFAOYSA-M
    • SMILES: [I-].[N+]1(C=CC=CC=1/C=C/C1C=CC(=CC=1)N(C)C)CC

Computed Properties

  • Exact Mass: 380.07500
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 277
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Topological Polar Surface Area: 7.1

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 267?°C (dec.) (lit.)
  • Solubility: methanol: soluble
  • PSA: 7.12000
  • LogP: 0.23440
  • Sensitiveness: Light Sensitive
  • λmax: 461 nm
  • Solubility: Not determined

Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • FLUKA BRAND F CODES:8-10
  • RTECS:UU3971000
  • Hazardous Material Identification: Xi
  • TSCA:Yes
  • Storage Condition:2-8°C
  • Risk Phrases:R36/37/38

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Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) Related Literature

Additional information on Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1)

Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) and CAS No. 3785-01-1: A Comprehensive Overview

The compound Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1), identified by the CAS number CAS No. 3785-01-1, represents a significant molecule in the realm of chemical and pharmaceutical research. This compound, characterized by its unique structural and electronic properties, has garnered attention for its potential applications in various scientific domains.

At the core of understanding this compound lies its molecular structure. The presence of a pyridinium ring, an ethenyl bridge, and a dimethylamino-substituted phenyl group contributes to its distinct chemical behavior. The pyridinium moiety, known for its cationic nature, plays a crucial role in facilitating interactions with biological targets. This feature makes the compound particularly interesting for drug design and development.

The dimethylamino group attached to the phenyl ring introduces basicity and enhances the compound's solubility in polar solvents. This characteristic is advantageous in pharmaceutical formulations where solubility is a critical factor for drug efficacy. Additionally, the ethenyl bridge connecting the pyridinium ring to the phenyl group provides a flexible scaffold that can be modulated for specific biological activities.

In recent years, there has been growing interest in exploring the pharmacological properties of compounds with similar structural motifs. Research has shown that molecules containing pyridinium and dimethylamino groups often exhibit potent interactions with biological receptors and enzymes. These interactions are key to developing novel therapeutic agents that can modulate physiological processes effectively.

One of the most promising areas of research involving Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) is its potential as an intermediate in the synthesis of more complex pharmaceutical molecules. The structural features of this compound make it a versatile building block for designing drugs targeting various diseases. For instance, its ability to interact with specific protein targets suggests applications in oncology, neurology, and anti-inflammatory therapies.

Recent studies have highlighted the compound's role in developing photoactive materials. The combination of aromatic rings and electron-deficient centers in its structure allows it to absorb light at specific wavelengths, making it suitable for applications in photodynamic therapy and optoelectronic devices. This dual functionality as both a pharmaceutical intermediate and a photoactive material underscores its versatility.

The synthesis of Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to construct the complex framework efficiently. These methods ensure high yields and purity, which are essential for pharmaceutical applications.

In terms of biological activity, preliminary studies suggest that this compound exhibits inhibitory effects on certain enzymes associated with metabolic pathways relevant to cancer progression. The pyridinium group's ability to stabilize transition states during enzymatic reactions makes it an effective scaffold for designing enzyme inhibitors. Further research is needed to fully elucidate its mechanism of action and therapeutic potential.

The compound's stability under various conditions is another critical factor that influences its applicability in pharmaceutical formulations. Studies have demonstrated that Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1) remains stable under controlled storage conditions, maintaining its integrity over extended periods. This stability is crucial for ensuring consistent drug performance from batch to batch.

The environmental impact of synthesizing and using this compound is also an area of consideration. Efforts are being made to develop greener synthetic routes that minimize waste and reduce energy consumption. Such sustainable practices are essential for ensuring the long-term viability of pharmaceutical compounds like this one.

In conclusion, Pyridinium,2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide (1:1), with its CAS number CAS No. 3785-01-1, represents a fascinating molecule with diverse applications in chemical biology and pharmaceutical science. Its unique structural features make it a valuable tool for drug discovery and development, particularly in areas such as oncology and anti-inflammatory therapies. As research continues to uncover new aspects of its properties and potential uses, this compound is poised to play an increasingly important role in advancing medical science.

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