Cas no 1261831-43-9 (3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid)

3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid is a fluorinated aromatic compound featuring a benzoic acid core substituted with a methoxy group and a 3-(trifluoromethoxy)phenyl moiety. This structure imparts unique physicochemical properties, including enhanced lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical research. The trifluoromethoxy group contributes to electron-withdrawing effects, potentially improving binding affinity in target interactions. Its benzoic acid functionality allows for further derivatization, facilitating its use as an intermediate in synthetic chemistry. The compound’s well-defined structure and purity make it suitable for applications in drug discovery, particularly in the development of bioactive molecules with optimized pharmacokinetic profiles.
3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid structure
1261831-43-9 structure
Product Name:3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid
CAS No:1261831-43-9
MF:C15H11F3O4
MW:312.240655183792
MDL:MFCD18322411
CID:2761362
PubChem ID:53228237
Update Time:2025-10-12

3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID00691770
    • MFCD18322411
    • 2-Methoxy-3'-(trifluoromethoxy)biphenyl-4-carboxylic acid
    • 3-METHOXY-4-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID
    • A1-72855
    • 2-Methoxy-3'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxylic acid
    • 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid, 95%
    • 1261831-43-9
    • 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid
    • MDL: MFCD18322411
    • Inchi: 1S/C15H11F3O4/c1-21-13-8-10(14(19)20)5-6-12(13)9-3-2-4-11(7-9)22-15(16,17)18/h2-8H,1H3,(H,19,20)
    • InChI Key: YNDMARFEUUBNAC-UHFFFAOYSA-N
    • SMILES: FC(OC1=CC=CC(=C1)C1C=CC(C(=O)O)=CC=1OC)(F)F

Computed Properties

  • Exact Mass: 312.06094331Da
  • Monoisotopic Mass: 312.06094331Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 385
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 55.8?2

3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011009964-250mg
2-Methoxy-3'-(trifluoromethoxy)biphenyl-4-carboxylic acid
1261831-43-9 97%
250mg
499.20 USD 2021-07-05
Alichem
A011009964-500mg
2-Methoxy-3'-(trifluoromethoxy)biphenyl-4-carboxylic acid
1261831-43-9 97%
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806.85 USD 2021-07-05
Alichem
A011009964-1g
2-Methoxy-3'-(trifluoromethoxy)biphenyl-4-carboxylic acid
1261831-43-9 97%
1g
1,445.30 USD 2021-07-05
abcr
AB329688-5 g
3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid, 95%; .
1261831-43-9 95%
5g
€1159.00 2023-06-21
abcr
AB329688-5g
3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid, 95%; .
1261831-43-9 95%
5g
€1159.00 2025-02-14

Additional information on 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid

Introduction to 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid (CAS No. 1261831-43-9)

3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and chemical synthesis. With the CAS number 1261831-43-9, this compound represents a unique molecular structure that combines functional groups such as methoxy and trifluoromethoxy, which are known for their diverse biological activities. The benzoic acid core provides a platform for further derivatization, making it a valuable intermediate in the development of novel therapeutic agents.

The structural features of 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid make it particularly interesting for researchers exploring new pharmacophores. The presence of multiple electronegative substituents, such as the trifluoromethoxy group, influences its electronic properties and potential interactions with biological targets. This compound has been studied for its potential applications in drug discovery, where its aromatic system and substituent patterns contribute to its versatility.

In recent years, there has been growing interest in the development of small-molecule inhibitors targeting specific enzymes and receptors involved in various diseases. 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid has been investigated as a lead compound in the synthesis of molecules that exhibit inhibitory activity against enzymes such as cyclooxygenases (COX) and tyrosine kinases. These enzymes are implicated in inflammatory responses and cancer progression, making them attractive therapeutic targets.

One of the key advantages of this compound is its ability to be modified further to enhance its pharmacological properties. Researchers have explored various synthetic strategies to derivatize 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid, leading to the development of novel analogs with improved solubility, bioavailability, and target specificity. These modifications have been crucial in optimizing drug-like characteristics, which are essential for successful clinical translation.

The trifluoromethoxy group, in particular, plays a critical role in modulating the electronic and steric properties of the molecule. This substituent can enhance binding affinity to biological targets by increasing lipophilicity and reducing metabolic degradation. Additionally, the methoxy group contributes to hydrophobic interactions, further influencing the compound's behavior in biological systems.

Recent studies have also highlighted the potential of 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid in addressing neurological disorders. Its structural motif is reminiscent of known bioactive compounds that interact with neurotransmitter receptors and ion channels. Preliminary investigations suggest that derivatives of this compound may exhibit neuroprotective effects, making them promising candidates for further exploration in neurodegenerative disease treatment.

The synthesis of 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and fluorochemical transformations, have been employed to construct the desired molecular framework efficiently. These synthetic approaches not only highlight the compound's complexity but also demonstrate the sophistication of modern chemical synthesis methodologies.

In conclusion, 3-Methoxy-4-(3-trifluoromethoxyphenyl)benzoic acid (CAS No. 1261831-43-9) is a versatile intermediate with significant potential in pharmaceutical research. Its unique structural features and functional groups make it an attractive scaffold for developing novel therapeutic agents targeting various diseases. Ongoing research continues to uncover new applications for this compound, underscoring its importance in drug discovery efforts.

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