CAS 3731-38-2

3-Quinuclidinone

Description:

3-Quinuclidinone is a bicyclic organic compound characterized by its quinuclidine structure, which features a nitrogen atom within a saturated six-membered ring. It is a colorless to pale yellow liquid with a distinctive odor and is soluble in water and organic solvents. The compound is known for its basicity due to the presence of the nitrogen atom, which can participate in protonation reactions. 3-Quinuclidinone is often used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its reactivity allows it to undergo various chemical transformations, including alkylation and acylation. Additionally, it has been studied for its potential applications in medicinal chemistry, particularly in the development of drugs targeting neurological disorders. Safety considerations include handling it with care, as it may pose health risks if inhaled or ingested. Overall, 3-Quinuclidinone is a versatile compound with significant relevance in both industrial and research settings.

Formula: C₇H₁₁NO

InChI: InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2

InChI key: InChIKey=ZKMZPXWMMSBLNO-UHFFFAOYSA-N

SMILES: O=C1C2CCN(C1)CC2

Synonyms:

• 1-Azabicyclo[2.2.2]octan-3-one
• 3-Oxoquinuclidine
• 3-Quinuclidinone
• 3-Quinuclidone
• 4-Azabicyclo[2.2.2]octan-2-one
• NSC 168448

Solifenacin Impurity 27 (3-Quinuclidinone)

CAS: 3731-38-2

Formula: C₇H₁₁NO

Color and Shape: Pale Yellow Solid

Molecular weight: 125.17

Ref: 4Z-S-1841

3-Quinuclidinone

Controlled Product

CAS: 3731-38-2

3-Quinuclidinone is a model system for hyperproliferative diseases. It has been shown to have pharmacokinetic properties and biochemical properties that are similar to those of the natural substrate, dinucleotide phosphate, group p2. 3-Quinuclidinone binds to sodium carbonate in an enzyme-catalyzed reaction that is similar to the reaction that occurs in cellular metabolism. The carbonyl group on 3-quinuclidinone forms hydrogen bonds with reactive groups in the enzyme's active site, which facilitates the conversion of 3-quinuclidinone into dinucleotide phosphate, group p2. This model system has been used as a potential therapeutic agent for inflammatory diseases and autoimmune diseases.
3-Quinuclidinone was synthesized using an asymmetric synthesis strategy with x-ray diffraction data and nmr spectra data as evidence that it is a chiral molecule.

Formula: C₇H₁₁NO

Purity: Min. 95%

Molecular weight: 125.17 g/mol

Ref: 3D-IQ31367

Solifenacin Related Compound 15

CAS: 3731-38-2

Formula: C₇H₁₁NO

Molecular weight: 125.17

Ref: ST-EA-CP-S9034