CAS 562-13-0

2,2-dimethylcyclohexane-1,3-dione

Description:

2,2-Dimethylcyclohexane-1,3-dione, with the CAS number 562-13-0, is an organic compound characterized by its cyclic structure and the presence of two ketone functional groups. This compound features a cyclohexane ring substituted with two methyl groups at the 2-position and carbonyl groups at the 1 and 3 positions, which contributes to its reactivity and potential applications in organic synthesis. It is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. The presence of the diketone functionality allows for various chemical reactions, including nucleophilic additions and condensation reactions. Its molecular structure imparts certain physical properties, such as solubility in organic solvents and moderate volatility. 2,2-Dimethylcyclohexane-1,3-dione can be utilized in the synthesis of more complex organic molecules and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₈H₁₂O₂

InChI: InChI=1/C8H12O2/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3

SMILES: CC1(C)C(=O)CCCC1=O

Synonyms:

• 1,3-Cyclohexanedione, 2,2-dimethyl-
• 2,2-Dimethyl-1,3-cyclohexanedione

2,2-Dimethylcyclohexane-1,3-dione

CAS: 562-13-0

Formula: C₈H₁₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 140.1797

Ref: IN-DA00DECQ

2,2-Dimethylcyclohexane-1,3-dione

CAS: 562-13-0

2,2-Dimethylcyclohexane-1,3-dione

Purity: 98%

Molecular weight: 140.18g/mol

Ref: 54-OR923906

2,2-Dimethyl-1,3-cyclohexanedione

CAS: 562-13-0

Formula: C₈H₁₂O₂

Purity: 98%

Molecular weight: 140.182

Ref: 10-F069900

2,2-Dimethylcyclohexane-1,3-dione

CAS: 562-13-0

2,2-Dimethylcyclohexane-1,3-dione is a compound that has been shown to be an intermediate in the taxol synthesis. It is an ester that can be alkylated and has been shown to have intramolecular or intermolecular alkylation through its ring system. The crystal structure analysis of this compound was done by x-ray diffraction and it was found to have key structural features for the synthesis of taxanes. 2,2-Dimethylcyclohexane-1,3-dione is used as an intermediate in the synthesis of taxol. It also shows enzymatic activity because it is a substrate for alcohol dehydrogenase. This molecule has been synthesized from different types of alcohols including methanol and ethanol via nitro reduction.

Formula: C₈H₁₂O₂

Purity: Min. 95%

Molecular weight: 140.18 g/mol

Ref: 3D-AAA56213