93249-62-8 | 2-HYDROXY-5-(TRIFLUOROMETHOXY)BENZALDEHYDE

CAS:93249-62-8 | 2-HYDROXY-5-(TRIFLUOROMETHOXY)BENZALDEHYDE,Description

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde is a chemical compound that belongs to the family of substituted benzaldehydes. While the provided papers do not directly discuss this compound, they do provide insights into similar compounds which can be used to infer some aspects of 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde. For instance, the synthesis and characterization of 5-tert-butyl-2-hydroxy-benzaldehydeand the study of 5-(hydroxymethyl)-2-furaldehydeoffer a glimpse into the structural and chemical properties that might be expected from substituted benzaldehydes.

Synthesis Analysis

The synthesis of substituted benzaldehydes can be complex, involving multiple steps and specific conditions to ensure the correct functional groups are introduced at the desired positions on the benzene ring. The paper on 5-tert-butyl-2-hydroxy-benzaldehyde describes a synthesis method using hydroformylation catalyzed by magnesium methoxide, which resulted in a 73.1% yield under anhydrous conditions and specific temperature and molar ratios. This suggests that a similar approach might be applicable for synthesizing 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, although the presence of the trifluoromethoxy group could require modifications to the synthesis protocol.

Molecular Structure Analysis

The molecular structure of substituted benzaldehydes is crucial for their reactivity and properties. The paper on 5-(hydroxymethyl)-2-furaldehyde provides an example of how Density Functional Theory (DFT) can be used to simulate the molecular geometry, vibrational properties, and electronic properties of such compounds. This type of analysis would be essential for understanding the molecular structure of 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, as the trifluoromethoxy group would influence the compound's electronic distribution and reactivity.

Chemical Reactions Analysis

Substituted benzaldehydes can undergo a variety of chemical reactions, depending on their functional groups and conditions. While the papers do not discuss the chemical reactions of 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde specifically, they do highlight the reactivity of similar compounds. For example, the hydrothermal formation of 1,2,4-benzenetriol from 5-hydroxymethyl-2-furaldehyde indicates that such compounds can participate in thermolysis reactions under high pressure and temperature. This information could be extrapolated to predict the types of reactions that 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde might undergo.

Physical and Chemical Properties Analysis

The physical and chemical properties of a compound like 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde can be inferred from studies on similar substances. The characterization of 5-tert-butyl-2-hydroxy-benzaldehyde using 1H NMR and elemental analysis, as well as the comprehensive discussion of the properties of 5-(hydroxymethyl)-2-furaldehyde, provide a foundation for understanding the potential properties of 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde. These properties include solubility, melting point, boiling point, and reactivity, which are all critical for practical applications and further chemical studies.

Scientific Research Applications

Organic Chemistry

“2-Hydroxy-5-(trifluoromethoxy)benzaldehyde” is a type of organic compound that is often used as a building block in organic synthesis. It has a molecular formula of C8H5F3O3.

Application

This compound is formed as an intermediate during the biotransformation pathways of CP-122,721 in humans. It may be used in the preparation of several other compounds:

• 2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
• (E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy)phenol
• 2-[(E)-(naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol

Results or Outcomes

“2-Hydroxy-5-(trifluoromethoxy)benzaldehyde” is a versatile compound in organic chemistry and is often used as a building block in organic synthesis. Here are some additional applications:

• Preparation of 2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol : This compound can be synthesized using 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde as a starting material.
• Preparation of (E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy)phenol : This compound can also be synthesized using 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde.
• Preparation of 2-[(E)-(naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol : This compound can be prepared using 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde.
• 2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol 
• (E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy)phenol 
• 2-[(E)-(naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol 

Safety And Hazards

“2-Hydroxy-5-(trifluoromethoxy)benzaldehyde” may cause serious eye irritation and respiratory irritation. It is considered hazardous by the 2012 OSHA Hazard Communication Standard (29 CFR 1910.1200).

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