Cas no 1052722-33-4 (5-(trifluoromethoxy)-1H-pyridin-2-one)

5-(Trifluoromethoxy)-1H-pyridin-2-one is a fluorinated heterocyclic compound featuring a pyridinone core substituted with a trifluoromethoxy group at the 5-position. This structure imparts unique physicochemical properties, including enhanced lipophilicity and metabolic stability, making it a valuable intermediate in pharmaceutical and agrochemical research. The trifluoromethoxy group contributes to improved bioavailability and resistance to enzymatic degradation, while the pyridinone moiety offers versatile reactivity for further functionalization. Its electron-withdrawing characteristics also make it useful in the design of bioactive molecules targeting CNS disorders, inflammation, and other therapeutic areas. The compound's stability under various reaction conditions further enhances its utility in synthetic chemistry.
5-(trifluoromethoxy)-1H-pyridin-2-one structure
1052722-33-4 structure
Product Name:5-(trifluoromethoxy)-1H-pyridin-2-one
CAS No:1052722-33-4
MF:C6H4F3NO2
MW:179.096672058105
MDL:MFCD25450567
CID:1097555
PubChem ID:91256805
Update Time:2025-06-13

5-(trifluoromethoxy)-1H-pyridin-2-one Chemical and Physical Properties

Names and Identifiers

    • 5-(trifluoromethoxy)-2(1H)-Pyridinone
    • 5-(trifluoromethoxy)-1H-pyridin-2-one
    • 5-(Trifluoromethoxy)pyridin-2-ol
    • F30845
    • MFCD25450567
    • SB21562
    • EN300-210062
    • CS-0311404
    • ZLWFWRXEONNRGS-UHFFFAOYSA-N
    • AS-48416
    • DB-185435
    • 1052722-33-4
    • 5-(Trifluoromethoxy)pyridin-2(1H)-one
    • SCHEMBL23632841
    • 5-(trifluoromethoxy)-1,2-dihydropyridin-2-one
    • AKOS027335363
    • MDL: MFCD25450567
    • Inchi: 1S/C6H4F3NO2/c7-6(8,9)12-4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
    • InChI Key: ZCEMHHMTDMCTPA-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(NC=1)=O)(F)F

Computed Properties

  • Exact Mass: 179.01941286g/mol
  • Monoisotopic Mass: 179.01941286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 1.1
  • Topological Polar Surface Area: 38.3?2

5-(trifluoromethoxy)-1H-pyridin-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FC13123-1g
5-(trifluoromethoxy)pyridin-2-ol
1052722-33-4 95%
1g
$750 2023-09-07
TRC
T791838-2.5mg
5-(Trifluoromethoxy)-1,2-dihydropyridin-2-one
1052722-33-4
2.5mg
$ 70.00 2022-06-02
TRC
T791838-5mg
5-(Trifluoromethoxy)-1,2-dihydropyridin-2-one
1052722-33-4
5mg
$ 95.00 2022-06-02
TRC
T791838-25mg
5-(Trifluoromethoxy)-1,2-dihydropyridin-2-one
1052722-33-4
25mg
$ 365.00 2022-06-02
ChemScence
CS-0311404-100mg
5-(Trifluoromethoxy)pyridin-2(1H)-one
1052722-33-4 ≥98.0%
100mg
$690.0 2022-04-28
ChemScence
CS-0311404-250mg
5-(Trifluoromethoxy)pyridin-2(1H)-one
1052722-33-4 ≥98.0%
250mg
$985.0 2022-04-28
ChemScence
CS-0311404-1g
5-(Trifluoromethoxy)pyridin-2(1H)-one
1052722-33-4 ≥98.0%
1g
$1987.0 2022-04-28
abcr
AB461594-250 mg
5-(Trifluoromethoxy)pyridin-2-ol, 95%; .
1052722-33-4 95%
250MG
€760.50 2022-06-10
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FC13123-5g
5-(trifluoromethoxy)pyridin-2-ol
1052722-33-4 95%
5g
$2200 2023-09-07
Chemenu
CM325585-250mg
5-(trifluoromethoxy)-1H-pyridin-2-one
1052722-33-4 95%+
250mg
$462 2022-06-14

Additional information on 5-(trifluoromethoxy)-1H-pyridin-2-one

Comprehensive Overview of 5-(Trifluoromethoxy)-1H-pyridin-2-one (CAS No. 1052722-33-4): Properties, Applications, and Industry Insights

5-(Trifluoromethoxy)-1H-pyridin-2-one (CAS No. 1052722-33-4) is a fluorinated heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural and electronic properties. The presence of the trifluoromethoxy group (-OCF3) enhances the molecule's lipophilicity and metabolic stability, making it a valuable scaffold for drug discovery. Researchers frequently search for "5-(trifluoromethoxy)-1H-pyridin-2-one synthesis" or "CAS 1052722-33-4 applications," reflecting its growing relevance in medicinal chemistry.

The compound's pyridin-2-one core is a privileged structure in bioactive molecules, often associated with anti-inflammatory, antiviral, and kinase inhibitory activities. Recent studies highlight its potential in targeting neurodegenerative diseases and oncology, aligning with trending searches like "fluorinated compounds in CNS drugs" and "trifluoromethoxy derivatives for cancer therapy." Its hydrogen-bonding capacity and electron-withdrawing effects make it a versatile building block for rational drug design.

From an industrial perspective, CAS 1052722-33-4 is often explored in "green chemistry approaches" due to increasing regulatory demands for sustainable synthesis. Patent analyses reveal its incorporation in crop protection agents, addressing global concerns about food security and pesticide resistance. The compound's halogenated motif also attracts interest in materials science, particularly for OLEDs and liquid crystals, where its thermal stability and electronic properties are advantageous.

Analytical characterization of 5-(trifluoromethoxy)-1H-pyridin-2-one typically involves NMR (notably 19F-NMR), HPLC-MS, and X-ray crystallography, with researchers frequently querying "spectral data for CAS 1052722-33-4." Computational studies using DFT calculations predict its reactivity patterns, supporting the optimization of synthetic routes. The compound's logP and pKa values are critical parameters for pharmacokinetic modeling, as noted in ADMET-focused publications.

Emerging applications include its use as a proteolysis-targeting chimera (PROTAC) linker component, tapping into the booming targeted protein degradation field. This connects with high-traffic search terms like "fluorinated linkers in bifunctional molecules." Safety evaluations confirm its compatibility with REACH compliance, though proper handling protocols are essential given its fluorine content.

Market trends indicate rising demand for 1052722-33-4 in contract research organizations, driven by pharmaceutical outsourcing. Suppliers emphasize cGMP-grade availability and custom synthesis options, responding to queries such as "bulk suppliers of trifluoromethoxy pyridinones." The compound's patent landscape shows strategic filings in US, EP, and CN jurisdictions, reflecting global R&D interest.

In summary, 5-(trifluoromethoxy)-1H-pyridin-2-one exemplifies how fluorine chemistry enables modern molecular innovation. Its dual utility in life sciences and advanced materials ensures continued research momentum, with interdisciplinary collaborations unlocking novel applications. The compound's trajectory mirrors broader shifts toward precision therapeutics and sustainable chemical solutions.

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