Cas no 1261933-34-9 (3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid)

3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid is a specialized organic compound featuring a thiophene aldehyde and a trifluoromethyl-substituted benzoic acid moiety. Its unique structure makes it valuable as an intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks. The presence of both formyl and carboxylic acid functional groups allows for versatile derivatization, enabling selective modifications for targeted applications. The trifluoromethyl group enhances metabolic stability and lipophilicity, which can be advantageous in drug design. This compound is typically used in research settings for developing bioactive molecules, offering synthetic flexibility and potential for structure-activity relationship studies. High purity grades ensure consistent performance in complex reactions.
3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid structure
1261933-34-9 structure
Product Name:3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid
CAS No:1261933-34-9
MF:C13H7F3O3S
MW:300.253093004227
MDL:MFCD18319842
CID:2764414
PubChem ID:53225760
Update Time:2025-06-11

3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • MFCD18319842
    • 3-(2-Formylthiophen-4-yl)-5-trifluoromethylbenzoic acid, 95%
    • 1261933-34-9
    • 3-(2-FORMYLTHIOPHEN-4-YL)-5-TRIFLUOROMETHYLBENZOIC ACID
    • SCHEMBL15331069
    • DTXSID20689492
    • 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid
    • MDL： MFCD18319842
    • Inchi： 1S/C13H7F3O3S/c14-13(15,16)10-2-7(1-8(3-10)12(18)19)9-4-11(5-17)20-6-9/h1-6H,(H,18,19)
    • InChI Key： ATWLPMICNWNOTE-UHFFFAOYSA-N
    • SMILES： S1C(C=O)=CC(=C1)C1=CC(C(=O)O)=CC(C(F)(F)F)=C1

Computed Properties

  • Exact Mass: 300.00679974Da
  • Monoisotopic Mass: 300.00679974Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 386
  • 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: 3.4
  • Topological Polar Surface Area: 82.6?2

3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326926-5 g
3-(2-Formylthiophen-4-yl)-5-trifluoromethylbenzoic acid, 95%; .
 1261933-34-9 95%
5g
 €1159.00 2023-04-26
abcr
AB326926-5g
3-(2-Formylthiophen-4-yl)-5-trifluoromethylbenzoic acid, 95%; .
 1261933-34-9 95%
5g
 €1159.00 2025-03-19

3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid Related Literature

Additional information on 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid

Comprehensive Overview of 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid (CAS No. 1261933-34-9)

3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid (CAS No. 1261933-34-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This compound combines a thiophene ring with a trifluoromethylbenzoic acid moiety, making it a versatile intermediate for synthesizing bioactive molecules. Researchers are particularly interested in its potential applications in drug discovery, where its formyl and carboxylic acid functional groups enable further derivatization.

The growing demand for trifluoromethylated compounds in medicinal chemistry has propelled the study of 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid. Its CAS No. 1261933-34-9 is frequently searched in scientific databases, reflecting its relevance in developing small-molecule inhibitors and enzyme modulators. Recent trends in AI-driven drug design have also highlighted the importance of such building blocks, as they are often used in virtual screening and molecular docking studies.

One of the key advantages of this compound lies in its thiophene-based scaffold, which is known for enhancing metabolic stability and bioavailability in drug candidates. The presence of the trifluoromethyl group further improves lipophilicity, a critical factor in optimizing pharmacokinetic properties. These attributes make 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid a valuable tool for researchers exploring structure-activity relationships (SAR) in therapeutic agents.

In addition to pharmaceutical applications, this compound has potential uses in material science, particularly in the development of organic semiconductors and fluorescent probes. The formyl group allows for conjugation with other functional units, enabling the creation of novel materials with tailored electronic properties. This dual applicability in life sciences and advanced materials underscores its interdisciplinary significance.

From a synthetic chemistry perspective, CAS No. 1261933-34-9 serves as a benchmark for studying heterocyclic coupling reactions. Its synthesis often involves palladium-catalyzed cross-coupling or microwave-assisted reactions, which are topics of high interest in modern organic chemistry. Researchers frequently inquire about optimized synthetic routes and scalability, reflecting the compound's industrial potential.

Environmental and green chemistry considerations are also shaping the discourse around this compound. Scientists are exploring solvent-free synthesis and catalytic recycling methods to produce 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid more sustainably. Such efforts align with global initiatives to reduce the ecological footprint of chemical manufacturing.

In summary, 3-(2-Formylthiophen-4-YL)-5-trifluoromethylbenzoic acid (CAS No. 1261933-34-9) represents a multifaceted compound with broad applications in drug development, material engineering, and methodological chemistry. Its structural uniqueness and functional adaptability continue to inspire innovations across scientific disciplines, making it a subject of enduring relevance in both academic and industrial settings.

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