16588-75-3 | 2-METHOXY-5-TRIFLUOROMETHYLPHENYL ISOCYANATE

CAS:16588-75-3 | 2-METHOXY-5-TRIFLUOROMETHYLPHENYL ISOCYANATE,Description

The compound "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene" is not directly mentioned in the provided papers. However, the papers discuss related compounds and reactions that can provide insight into the chemical behavior and properties of similar isocyanate compounds. For instance, paperdescribes the synthesis of 1-aryl-1-chloro-2,2,2-trifluoroethylisocyanates and their subsequent reactions to form derivatives of 2-aryl-2-trifluoromethyl-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-ones. This suggests that isocyanates with trifluoromethyl groups are reactive and can participate in cyclization reactions to form heterocyclic compounds.

Synthesis Analysis

The synthesis of related compounds involves the use of isocyanates as key intermediates. In paper, 1-aryl-1-chloro-2,2,2-trifluoroethylisocyanates are used as reagents, which react with 3-alkoxyphenols to form urethanes that undergo thermal cyclization to produce oxazin-4-ones. This indicates that isocyanates can be used to introduce aryl groups and trifluoromethyl groups into heterocyclic structures through cyclization reactions.

Molecular Structure Analysis

While the molecular structure of "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene" is not directly analyzed in the papers, paperprovides an example of molecular structure determination through X-ray crystallography for a cycloadduct formed from a reaction involving an isothiocyanate. This demonstrates the utility of X-ray crystallography in determining the structure of compounds related to isocyanates and suggests that similar techniques could be applied to analyze the structure of "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene."

Chemical Reactions Analysis

The papers indicate that isocyanates can undergo various chemical reactions. For example, paperdiscusses the 1,3-dipolar cycloaddition of a benzopyrylium compound with aryl isothiocyanates, leading to multiple adducts. This highlights the reactivity of the isocyanate group in cycloaddition reactions. Although not directly related to "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene," these findings can provide a basis for predicting the reactivity of the isocyanate group in similar compounds.

Physical and Chemical Properties Analysis

The physical and chemical properties of "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene" are not detailed in the provided papers. However, the photoluminescent properties of related compounds are discussed in paper, where phenylene vinylene oligomers exhibit high photoluminescence and bathochromic shifts in their emission spectra. This suggests that compounds with similar structural features may also exhibit interesting photophysical characteristics, which could be relevant for the analysis of "2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene."

Safety And Hazards

This compound is associated with several hazard statements including H302, H311, H314, H317, H330, H334. These codes represent different types of hazards, such as harmful if swallowed (H302), toxic in contact with skin (H311), causes severe skin burns and eye damage (H314), may cause an allergic skin reaction (H317), fatal if inhaled (H330), and may cause allergy or asthma symptoms or breathing difficulties if inhaled (H334).

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