504-02-9 | Cyclohexane-1,3-dione

Packsize	Purity	Availability	Price	Discounted Price
10g	98%	in stock	$8.00	$5.00
100g	98%	in stock	$10.00	$7.00
500g	98%	in stock	$36.00	$25.00
1kg	98%	in stock	$55.00	$38.00

Description

• Catalog Number: AB43129
• Chemical Name: Cyclohexane-1,3-dione
• CAS Number: 504-02-9
• Molecular Formula: C6H8O2
• Molecular Weight: 112.1265
• MDL Number: MFCD00001585
• SMILES: O=C1CCCC(=O)C1
• NSC Number: 57477

Computed Properties

• Complexity: 113
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2

Upstream Synthesis Route

1,3-Cyclohexanedione is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This cyclic diketone serves as a key building block in the preparation of various organic compounds due to its ability to undergo various chemical transformations. In particular, 1,3-Cyclohexanedione is commonly utilized in the synthesis of heterocyclic compounds, pharmaceutical intermediates, and agrochemicals.One of the primary applications of 1,3-Cyclohexanedione in chemical synthesis is its role as a precursor in the construction of biologically active molecules. The carbonyl groups present in the molecule can undergo nucleophilic addition reactions with a variety of reagents, leading to the formation of complex structures with pharmacological properties. Additionally, the β-diketone motif of 1,3-Cyclohexanedione is a key feature in the synthesis of chelating ligands used in coordination chemistry and catalysis.Moreover, 1,3-Cyclohexanedione can act as a suitable substrate for various organic transformations, such as condensation reactions, reductions, and functional group modifications. Its cyclic nature imparts rigidity and stereochemical control to the synthesized products, making it a valuable building block in the design of molecular architectures with desired stereochemistry.Overall, the versatility and reactivity of 1,3-Cyclohexanedione make it an indispensable reagent in chemical synthesis, enabling the efficient construction of diverse organic molecules with significant applications in drug discovery, materials science, and other fields of research.

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