Cas no 65321-29-1 (1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-)

1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-, is a versatile compound with a broad range of applications in organic synthesis. It features a unique pyridinyl group, which enhances its reactivity in various reactions. The presence of the dimethyl substituents stabilizes the molecule, improving its thermal stability. This compound is highly valued for its ability to facilitate aromatic substitution and ring-opening reactions, making it an essential reagent in pharmaceutical and agrochemical research.
1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- structure
65321-29-1 structure
Product Name:1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-
CAS No:65321-29-1
MF:C10H13NO
MW:163.216322660446
MDL:MFCD12808132
CID:400709
PubChem ID:15564499
Update Time:2025-06-18

1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-
    • 2,2-dimethyl-1-pyridin-3-ylpropan-1-one
    • 3-Pivaloylpyridine
    • AKOS010147184
    • AB92661
    • 2,2-dimethyl-1-(pyridin-3-yl)propan-1-one
    • CS-0364889
    • 2,2-Dimethyl-1-(3-pyridinyl)-1-propanone
    • DTXSID20574334
    • F78812
    • SCHEMBL800635
    • 65321-29-1
    • MDL: MFCD12808132
    • Inchi: 1S/C10H13NO/c1-10(2,3)9(12)8-5-4-6-11-7-8/h4-7H,1-3H3
    • InChI Key: DSIWVPPBVHNWQM-UHFFFAOYSA-N
    • SMILES: O=C(C1C=NC=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 163.09979
  • Monoisotopic Mass: 163.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 1.8
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • Density: 0.996±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 255.9±13.0 oC (760 Torr),
  • Flash Point: 115.3±27.3 oC,
  • Solubility: Slightly soluble (3.3 g/l) (25 o C),
  • PSA: 29.96

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Additional information on 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-

Introduction to 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- (CAS No: 65321-29-1)

1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-, identified by its Chemical Abstracts Service (CAS) number 65321-29-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of pyridine derivatives, featuring a unique structural framework that combines a ketone group with a pyridine moiety. The presence of these functional groups imparts distinct chemical properties, making it a valuable intermediate in synthetic chemistry and a potential candidate for various biological applications.

The molecular structure of 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- consists of a central propanone backbone substituted with two methyl groups at the 2-position and a 3-pyridinyl group at the 1-position. This arrangement creates a molecule with high steric hindrance due to the bulky methyl groups, which can influence its reactivity and interactions with biological targets. The pyridine ring, on the other hand, is known for its ability to form hydrogen bonds and coordinate with metal ions, making it a versatile scaffold in drug design.

In recent years, there has been growing interest in exploring the pharmacological potential of pyridine derivatives, particularly those incorporating heterocyclic structures. The compound 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- has been studied for its potential role in developing novel therapeutic agents. Its unique structural features suggest that it may interact with biological macromolecules in ways that could be exploited for therapeutic purposes. For instance, the pyridine moiety could serve as a binding site for enzymes or receptors, while the ketone group could participate in covalent modifications or redox reactions.

One of the most compelling aspects of 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- is its synthetic versatility. The compound can be used as a building block in multi-step organic synthesis, allowing chemists to construct more complex molecules with tailored properties. Researchers have leveraged this compound to develop new synthetic pathways for other pharmacologically relevant molecules. Additionally, its stability under various reaction conditions makes it a reliable reagent in laboratory settings.

The biological activity of 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- has been investigated in several preclinical studies. Initial findings suggest that it may exhibit inhibitory effects on certain enzymes and receptors involved in inflammatory and neurological pathways. These preliminary results have prompted further research into its potential as a lead compound for drug development. The compound's ability to modulate biological processes could make it useful in treating conditions such as inflammation, pain, and neurodegenerative disorders.

Advances in computational chemistry have also played a crucial role in understanding the behavior of 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)-. Molecular modeling studies have provided insights into its binding interactions with target proteins and its metabolic pathways. These computational approaches have helped researchers optimize its structure for improved efficacy and reduced toxicity. By integrating experimental data with computational predictions, scientists can design more effective derivatives of this compound.

The synthesis of 1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include condensation reactions between ketones and pyridine derivatives, followed by functional group modifications. The use of advanced catalytic systems has further improved the efficiency of these synthetic processes. For instance, transition metal-catalyzed cross-coupling reactions have enabled the introduction of complex substituents into the molecular framework with high precision.

In conclusion,1-Propanone, 2,2-dimethyl-1-(3-pyridinyl)- (CAS No: 65321-29-1) is a promising compound with significant potential in pharmaceutical research. Its unique structural features and biological activity make it an attractive candidate for further investigation. As research continues to uncover new applications for this molecule,it is likely to play an important role in the development of innovative therapeutic strategies.

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