Cas no 66158-30-3 (2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid)

2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a pyridone core structure. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of biologically active molecules. The presence of both a carboxylic acid and a ketone functional group allows for further derivatization, enabling the development of targeted compounds with specific properties. Its stable dihydropyridine scaffold contributes to its utility in medicinal chemistry, particularly in the design of enzyme inhibitors or receptor modulators. The isopropyl substituent enhances lipophilicity, which may influence pharmacokinetic behavior in drug discovery applications.
2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid structure
66158-30-3 structure
Product Name:2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CAS No:66158-30-3
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD09756118
CID:3299300
PubChem ID:21789705
Update Time:2025-10-23

2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-PYRIDINECARBOXYLIC ACID, 1,2-DIHYDRO-1-(1-METHYLETHYL)-2-OXO-
    • 2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
    • 1-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
    • AKOS022342357
    • KS-7816
    • 66158-30-3
    • MFCD09756118
    • CS-0183529
    • DB-391067
    • P19149
    • 1-Isopropyl-2-oxo-1,2-dihydropyridine-3-carboxylicacid
    • AT-419/43492650
    • 1-Isopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
    • SCHEMBL11634695
    • 2-Oxo-1-propan-2-ylpyridine-3-carboxylic acid
    • EN300-369268
    • 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
    • MDL： MFCD09756118
    • Inchi： 1S/C9H11NO3/c1-6(2)10-5-3-4-7(8(10)11)9(12)13/h3-6H,1-2H3,(H,12,13)
    • InChI Key： WMHUUEGGTAJRCB-UHFFFAOYSA-N
    • SMILES： O=C1C(C(=O)O)=CC=CN1C(C)C

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 302
  • 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: 1.5
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 367.5±35.0 °C at 760 mmHg
  • Flash Point: 176.0±25.9 °C
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB530683-100mg
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid; .
 66158-30-3
100mg
 €418.50 2025-04-17
abcr
AB530683-250mg
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid; .
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abcr
AB530683-500mg
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid; .
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abcr
AB530683-1g
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2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid Related Literature

Additional information on 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid

2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid (CAS No. 66158-30-3): An Overview of Its Structure, Synthesis, and Applications in Medicinal Chemistry

2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid (CAS No. 66158-30-3) is a versatile compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential biological activities. This compound belongs to the class of pyridine derivatives and is characterized by its 2-oxo group, isopropyl substituent, and carboxylic acid functionality. These structural elements contribute to its diverse applications in drug discovery and development.

The molecular structure of 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid can be represented as C10H13NO3. The presence of the 2-oxo group and the carboxylic acid moiety imparts significant reactivity and functional versatility to the molecule. The isopropyl substituent at the 1-position further modulates its physicochemical properties, making it an attractive candidate for various chemical transformations and biological studies.

In recent years, the synthesis of 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid has been extensively studied. One of the most common synthetic routes involves the condensation of isopropylamine with an appropriate pyridine derivative followed by oxidation and carboxylation steps. This multi-step process allows for the precise control of the compound's structure and purity, which is crucial for its use in medicinal applications.

The biological activity of 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid has been a focal point of numerous research studies. Recent findings have highlighted its potential as a modulator of various biological pathways. For instance, studies have shown that this compound exhibits anti-inflammatory properties by inhibiting the production of pro-inflammatory cytokines such as TNF-alpha and IL-6. Additionally, it has been reported to possess antioxidant activity, which can be beneficial in protecting cells from oxidative stress.

In the context of drug discovery, 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid has been explored as a lead compound for developing new therapeutic agents. Its ability to modulate inflammatory responses makes it a promising candidate for treating conditions such as rheumatoid arthritis and inflammatory bowel disease. Moreover, its antioxidant properties suggest potential applications in neurodegenerative disorders where oxidative stress plays a significant role.

The pharmacokinetic properties of 2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid have also been investigated to assess its suitability as a drug candidate. Studies have shown that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles. Its good oral bioavailability and low toxicity make it an attractive option for further preclinical and clinical evaluation.

In conclusion, 2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid (CAS No. 66158-30-3) is a multifaceted compound with significant potential in medicinal chemistry. Its unique structural features and diverse biological activities make it a valuable target for drug discovery and development. Ongoing research continues to uncover new applications and mechanisms of action for this compound, further solidifying its importance in the field.

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