CAS 62455-70-3

Cyclohexanepropanenitrile, b-oxo-

Description:

Cyclohexanepropanenitrile, b-oxo- is an organic compound characterized by its structure, which includes a cyclohexane ring and a propanenitrile group with a keto functional group. This compound typically exhibits a colorless to pale yellow appearance and is known for its moderate volatility and solubility in organic solvents. The presence of the nitrile group (-C≡N) imparts certain polar characteristics, making it reactive in various chemical reactions, such as nucleophilic additions. The b-oxo functionality suggests that it may participate in reactions typical of carbonyl compounds, including condensation and enolate formation. Cyclohexanepropanenitrile, b-oxo- may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its potential as an intermediate in the synthesis of more complex molecules. Safety data indicates that, like many nitriles, it should be handled with care, as it may pose health risks upon exposure. Overall, this compound exemplifies the diverse reactivity and utility of nitrile-containing organic compounds in chemical synthesis.

Formula: C₉H₁₃NO

InChI: InChI=1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8H,1-6H2

SMILES: C1CCC(CC1)C(=O)CC#N

Synonyms:

• 3-Cyclohexyl-3-Oxopropanenitrile

3-Cyclohexyl-3-oxopropanenitrile

CAS: 62455-70-3

Formula: C₉H₁₃NO

Purity: 97%

Color and Shape: Liquid

Molecular weight: 151.2056

Ref: IN-DA00EELN

3-Cyclohexyl-3-oxopropanenitrile

CAS: 62455-70-3

3-Cyclohexyl-3-oxopropanenitrile

Purity: 95%

Molecular weight: 151.21g/mol

Ref: 54-OR930579

3-Cyclohexyl-3-oxopropanenitrile

CAS: 62455-70-3

Formula: C₉H₁₃NO

Purity: 95.0%

Color and Shape: Liquid

Molecular weight: 151.209

Ref: 10-F229401

β-oxo-Cyclohexanepropanenitrile

Controlled Product

CAS: 62455-70-3

Applications β-oxo-Cyclohexanepropanenitrile is used in the preparation of pyrazoloquinazolinone derivatives as PARP-1 inhibitors. In addition, it is used in the preparation of benzoxazoyl amino cyanopyrimidines which act as negative allosteric mGlu5 modulators. Used in anxiety, depression and addiction treatment.
References Orvieto, F. et al.: Bioorg. Med. Chem. Lett., 19, 4196 (2009); Mueller, R. et al.: ChemMedChem., 7, 406 (2012);

Formula: C₉H₁₃NO

Color and Shape: Neat

Molecular weight: 151.21

Ref: TR-C988095

3-Cyclohexyl-3-oxopropanenitrile

CAS: 62455-70-3

Curvularia lunata is a fungus that produces 3-cyclohexyl-3-oxopropanenitrile, an alkylating agent. Curvularia lunata has been shown to be effective in the treatment of inflammatory diseases and allergic diseases. The mechanism of action for its anti-inflammatory effects is not yet known, but it may be due to its ability to reduce the levels of prostaglandins and leukotrienes. Curvularia lunata also contains a chemical called optically active 3-cyclohexyl-3-oxopropanenitrile, which can be used as a starting material for the synthesis of other optically active compounds. Curvularia lunata is used as a natural product to synthesize stereoselective compounds with high optical purity.

Formula: C₉H₁₃NO

Purity: Min. 95%

Molecular weight: 151.21 g/mol

Ref: 3D-MCA45570