1150560-54-5 | 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione

CAS:1150560-54-5 | 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione,Description

This compound is a pyrimidinedione derivative, which means it contains a pyrimidine ring - a six-membered ring with two nitrogen atoms and four carbon atoms. The dione indicates the presence of two carbonyl (C=O) groups. The molecule also has a benzyl group attached, which is further substituted with fluorine and trifluoromethyl groups. The presence of an iodine atom indicates it might be used as a precursor for further reactions.

Synthesis Analysis

The synthesis of such a compound would likely involve multiple steps, starting from simple precursors. The exact method would depend on the specific reactions used in the synthesis. Without more specific information, it’s difficult to provide a detailed synthesis analysis.

Molecular Structure Analysis

The molecular structure of this compound would be quite complex due to the presence of several different functional groups. The pyrimidinedione ring system, the benzyl group, and the various halogens all contribute to the overall structure.

Chemical Reactions Analysis

As a pyrimidinedione derivative, this compound could potentially undergo a variety of chemical reactions. The presence of the iodine atom makes it a good leaving group, which could be substituted in a nucleophilic substitution reaction.

Physical And Chemical Properties Analysis

The physical and chemical properties of this compound would be influenced by its molecular structure. The presence of fluorine atoms could make the compound quite electronegative, and the iodine atom could potentially make it quite heavy.

Scientific Research Applications

Molecular Synthesis and Characterization

• The compound has been synthesized using multi-component reactions, demonstrating its potential for chemical synthesis and characterization. For instance, a related compound, 5-[(3-Fluorophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, was synthesized via Aldol–Michael addition reactions, showcasing the versatility of this class of compounds in synthetic chemistry (Barakat et al., 2016).

Fluorescence and Luminescence Studies

• These compounds have been studied for their fluorescence characteristics, which could have applications in imaging and diagnostics. A study on similar fluorouracil derivatives highlights their luminescent properties, which could be pertinent to the compound (Ostakhov et al., 2019).

Crystallography and Structural Analysis

• The structural properties of similar compounds have been analyzed using crystallography, providing insights into their molecular geometry and potential interactions. For example, studies on trifluoromethyl-substituted compounds have delved into their crystal structures, which could be relevant for understanding the physical and chemical properties of the compound (Li et al., 2005).

Potential for Drug Development

• Although specific applications in drug development for this compound are not directly reported, its structural similarity to other pyrimidine derivatives, which have been explored for anti-HIV activity and other medicinal properties, suggests potential pharmaceutical applications. For instance, studies on fluoro-HEPT analogues, which share a similar pyrimidine structure, have shown significant activity against HIV-1, indicating the possible relevance of the compound in drug discovery (Loksha et al., 2011) .

Herbicidal Activities

• Similar pyrimidine derivatives have also shown herbicidal activities, suggesting potential agricultural applications for the compound. A study on 6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione compounds demonstrated good herbicidal activities, which could be a relevant area of application for 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione (Huazheng, 2013).

Future Directions

The future directions for research on this compound would likely depend on its intended use. If it shows promise in a particular application, further studies could be conducted to optimize its properties.

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Physical Form