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Nicotine-derived nitrosamine ketone (NNK)

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Identification
Molecular formula
C15H20N2O3
CAS number
64091-91-4
IUPAC name
3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate
State
State

At room temperature, NNK exists as a solid. It is important to handle it with care in a controlled environment due to its carcinogenic properties.

Melting point (Celsius)
143.20
Melting point (Kelvin)
416.35
Boiling point (Celsius)
371.60
Boiling point (Kelvin)
644.75
General information
Molecular weight
324.34g/mol
Molar mass
325.4040g/mol
Density
1.2140g/cm3
Appearence

Nicotine-derived nitrosamine ketone (NNK) typically appears as a beige crystalline solid. Its appearance can vary slightly due to impurities that may be present depending on how it is synthesized or extracted.

Comment on solubility

Solubility of 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate

The solubility of the compound 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate, with the chemical formula C15H20N2O3, can be influenced by various factors including polarity and functional groups.

Key Points Regarding Solubility:

  • Polarity: The presence of both hydrophilic (polar) and hydrophobic (non-polar) segments in the structure affects solubility in different solvents. The pyridyl groups tend to attract polar solvents like water, while the alkyl chains can be more soluble in organic solvents.
  • Solvent Interaction: This compound may exhibit varied solubility characteristics in solvents such as:
    • Highly soluble in dimethyl sulfoxide (DMSO) and ethanol.
    • Moderate to low solubility in water.
  • Temperature Effects: Solubility might increase with temperature as higher temperatures often enhance molecular movement and interactions with the solvent.

In summary, while the solubility profile of 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate may not be extensively documented, it is crucial to consider both polar and non-polar characteristics as well as the choice of solvent for practical applications.

Interesting facts

Interesting Facts About 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate

This compound is a fascinating structure within the realm of organic chemistry, particularly due to its intricate design and functional groups. Here are some engaging facts about it:

  • Complex Structure: The compound features a pyrrolidine ring, which is a five-membered ring containing nitrogen. This type of structure is known for its *stability* and is prevalent in many biologically active molecules.
  • Active Components: Both the pyridine and the pyrrolidine moieties contribute to the compound's potential *biological activity*. Pyridine derivatives are frequently studied for their medicinal properties, while pyrrolidines are known for various pharmacological effects.
  • Chemical Versatility: The presence of a carboxylate group in the structure can enable this compound to act as a *nucleophile in chemical reactions*, making it beneficial in synthetic organic chemistry.
  • Potential Applications: Compounds like this one are often evaluated for their roles in drug discovery, particularly in targeting specific enzymes or receptors in the body. The unique functional groups may impart *selectivity and potency* in therapeutic applications.
  • Impressive Synthesis: The synthesis of structures like 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate can be an intricate process, often requiring multiple steps that involve *strategic planning* of the reaction sequences to build the desired architecture.

In summary, 3-(3-pyridyl)propyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carboxylate represents an *intriguing intersection* of structure and function in organic chemistry, underscoring the discipline’s synergy with biology and medicine.

Synonyms
CHEMBL149192
SCHEMBL7187
BDBM50068547
AKOS032947534
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
3-(PYRIDIN-3-YL)PROPYL 1-(3,3-DIMETHYL-2-OXOPENTANOYL)PYRROLIDINE-2-CARBOXYLATE