Cas no 849066-52-0 (3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid)

3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid structure
849066-52-0 structure
Product Name:3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid
CAS No:849066-52-0
MF:C12H8F3NO2S
MW:287.257632255554
MDL:MFCD00115029
CID:716709
PubChem ID:2740235
Update Time:2025-10-29

3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, 3-amino-4-phenyl-5-(trifluoromethyl)-
    • 3-AMINO-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLIC ACID
    • HMS1668P13
    • 849066-52-0
    • MS-21993
    • DB-076165
    • 3-AMINO-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLICACID
    • MFCD00115029
    • DTXSID10372366
    • 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid
    • MDL: MFCD00115029
    • Inchi: 1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)
    • InChI Key: BPFFXVCOJJGNQU-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C(C2C=CC=CC=2)=C1C(F)(F)F)N

Computed Properties

  • Exact Mass: 287.02300
  • Monoisotopic Mass: 287.02278416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 344
  • 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: 3.9
  • Topological Polar Surface Area: 91.6?2

Experimental Properties

  • Density: 1.492
  • Boiling Point: 411.3°C at 760 mmHg
  • Flash Point: 202.5°C
  • Refractive Index: 1.594
  • PSA: 91.56000
  • LogP: 4.29550

3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A640975-10mg
3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid
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$ 50.00 2022-06-07
TRC
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abcr
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abcr
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Additional information on 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid

3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid (CAS No. 849066-52-0): A Comprehensive Overview

3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid (CAS No. 849066-52-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its unique thiophene core and trifluoromethyl functional group, serves as a versatile building block in synthetic chemistry. Its molecular structure combines an amino group, a phenyl ring, and a carboxylic acid moiety, making it highly adaptable for various applications.

The growing interest in 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid stems from its potential in drug discovery and agrochemical development. Researchers are particularly intrigued by its ability to act as a precursor for heterocyclic compounds, which are pivotal in designing bioactive molecules. The presence of the trifluoromethyl group enhances the compound's metabolic stability and lipophilicity, traits highly sought after in modern medicinal chemistry.

In recent years, the demand for fluorinated compounds like 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid has surged due to their unique physicochemical properties. Fluorination is a key strategy in optimizing drug candidates, as it improves bioavailability and target selectivity. This compound's thiophene-2-carboxylic acid scaffold also aligns with current trends in small-molecule therapeutics, where researchers focus on modular and tunable structures.

Beyond pharmaceuticals, 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid finds utility in material science, particularly in the development of organic semiconductors and conductive polymers. Its conjugated system and electron-withdrawing groups make it a candidate for optoelectronic applications, such as organic light-emitting diodes (OLEDs) and photovoltaic devices. This dual applicability in life sciences and advanced materials underscores its interdisciplinary relevance.

Synthetic routes to 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid often involve multi-step protocols, including palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Recent advancements in green chemistry have also explored eco-friendly methodologies to produce this compound, addressing sustainability concerns in chemical manufacturing. These innovations align with global efforts to reduce hazardous waste and energy consumption.

The compound's stability under various conditions makes it suitable for high-throughput screening and combinatorial chemistry. Its compatibility with automated synthesis platforms has accelerated its adoption in industrial and academic laboratories. Additionally, its crystalline form facilitates characterization via X-ray diffraction, providing valuable insights into structure-activity relationships.

As the scientific community continues to explore 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid, its role in addressing challenges like drug resistance and energy storage becomes increasingly evident. With ongoing research into its derivatives and analogs, this compound is poised to remain at the forefront of innovation in chemistry and allied fields.

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