Cas no 1093758-81-6 (4-(3-Trifluoromethoxyphenyl)benzoic Acid)

4-(3-Trifluoromethoxyphenyl)benzoic Acid is a fluorinated aromatic carboxylic acid derivative, characterized by the presence of a trifluoromethoxy substituent on the phenyl ring. This compound is of interest in pharmaceutical and agrochemical research due to its unique electronic and steric properties imparted by the trifluoromethoxy group, which enhances metabolic stability and lipophilicity. It serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of enzyme inhibitors and receptor modulators. The benzoic acid moiety allows for further functionalization, enabling its incorporation into more complex structures. Its high purity and well-defined chemical properties make it suitable for precision applications in medicinal chemistry and material science.
4-(3-Trifluoromethoxyphenyl)benzoic Acid structure
1093758-81-6 structure
Product Name:4-(3-Trifluoromethoxyphenyl)benzoic Acid
CAS No:1093758-81-6
MF:C14H9F3O3
MW:282.214674711227
MDL:MFCD11519023
CID:1192062
Update Time:2025-10-31

4-(3-Trifluoromethoxyphenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-[3-(trifluoromethoxy)phenyl]benzoic Acid
    • PubChem10306
    • 4-(3-Trifluoromethoxyphenyl)benzoic acid
    • ACMC-20992t
    • 3'-TRIFLUOROMETHOXY-BIPHENYL-4-CARBOXYLIC ACID
    • SureCN505417
    • ANW-16035
    • 3'-(trifluoromethoxy)biphenyl-4-carboxylic acid
    • AKOS012214540
    • CTK8A9201
    • PubChem10306; 4-(3-Trifluoromethoxyphenyl)benzoic acid; ACMC-20992t; 3'-TRIFLUOROMETHOXY-BIPHENYL-4-CARBOXYLIC ACID; SureCN505417; ANW-16035; 3'-(trifluoromethoxy)biphenyl-4-carboxylic acid; AKOS012214540; CTK8A9201;
    • 4-(3-Trifluoromethoxyphenyl)benzoic Acid
    • MDL: MFCD11519023
    • Inchi: 1S/C14H9F3O3/c15-14(16,17)20-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(18)19/h1-8H,(H,18,19)
    • InChI Key: COCUWGMMRYYPDJ-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC=CC(=C1)C1C=CC(C(=O)O)=CC=1)(F)F

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Additional information on 4-(3-Trifluoromethoxyphenyl)benzoic Acid

Introduction to 4-(3-Trifluoromethoxyphenyl)benzoic Acid (CAS No. 1093758-81-6) and Its Emerging Applications in Chemical Biology and Medicine

4-(3-Trifluoromethoxyphenyl)benzoic acid, identified by the chemical abstracts service number CAS No. 1093758-81-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and chemical biology. This compound belongs to the benzoic acid derivatives class, characterized by its unique structural features, including a trifluoromethoxy substituent on the phenyl ring. The presence of this fluorinated group enhances its pharmacological properties, making it a valuable candidate for drug discovery and development.

The structural motif of 4-(3-Trifluoromethoxyphenyl)benzoic acid consists of a benzoic acid core linked to a phenyl ring via an ester or amide bond, with the trifluoromethoxy group (-OCH?CF?) positioned at the 3-position of the phenyl ring. This configuration imparts distinct electronic and steric properties, influencing its interactions with biological targets. The trifluoromethoxy group, in particular, is known for its ability to modulate lipophilicity and metabolic stability, which are critical factors in drug design.

In recent years, 4-(3-Trifluoromethoxyphenyl)benzoic acid has been extensively studied for its potential applications in medicinal chemistry. Its derivatives have been explored as inhibitors of various enzymes and receptors involved in metabolic diseases, inflammation, and cancer. The compound's ability to selectively interact with biological targets makes it a promising scaffold for developing novel therapeutic agents.

One of the most compelling aspects of 4-(3-Trifluoromethoxyphenyl)benzoic acid is its role in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is associated with numerous diseases, including cancer. Researchers have synthesized various derivatives of this compound to target specific kinases, such as Janus kinases (JAKs) and tyrosine kinases (Tyrosine Kinase Inhibitors - TKIs). These derivatives have shown promising preclinical activity in inhibiting tumor growth and reducing inflammation.

Furthermore, 4-(3-Trifluoromethoxyphenyl)benzoic acid has been investigated for its potential in treating neurological disorders. The compound's ability to cross the blood-brain barrier and interact with central nervous system (CNS) targets has made it an attractive candidate for developing treatments for conditions such as Alzheimer's disease and Parkinson's disease. Preliminary studies suggest that certain derivatives of this compound can modulate neurotransmitter release and protect against neurodegeneration.

The pharmaceutical industry has also explored 4-(3-Trifluoromethoxyphenyl)benzoic acid as a starting material for synthesizing more complex molecules with enhanced pharmacological properties. By modifying the substituents on the benzoic acid core or introducing additional functional groups, researchers can fine-tune the activity and selectivity of these compounds. This approach has led to the discovery of several novel drug candidates that are currently undergoing clinical evaluation.

Another area where 4-(3-Trifluoromethoxyphenyl)benzoic acid has shown promise is in the field of anti-inflammatory drugs. Chronic inflammation is a hallmark of many diseases, including arthritis, cardiovascular disease, and autoimmune disorders. Derivatives of this compound have been found to inhibit key inflammatory pathways by suppressing the production of pro-inflammatory cytokines such as tumor necrosis factor-alpha (TNF-α), interleukin-1β (IL-1β), and interleukin-6 (IL-6).

The use of computational methods, such as molecular docking and virtual screening, has further accelerated the discovery process for 4-(3-Trifluoromethoxyphenyl)benzoic acid derivatives. These techniques allow researchers to predict the binding affinity of potential drug candidates to biological targets with high accuracy. By integrating experimental data with computational models, scientists can rapidly identify promising compounds for further development.

In conclusion,4-(3-Trifluoromethoxyphenyl)benzoic acid (CAS No. 1093758-81-6) is a versatile compound with significant potential in pharmaceutical research and chemical biology. Its unique structural features make it an excellent scaffold for developing novel therapeutic agents targeting various diseases. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in drug discovery and development.

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