1073-13-8 | 4,4-Dimethylcyclohex-2-enone

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$32.00	$22.00
10g	97%	in stock	$48.00	$33.00
25g	97%	in stock	$81.00	$57.00
100g	97%	in stock	$240.00	$168.00

Description

• Catalog Number: AE08928
• Chemical Name: 4,4-Dimethylcyclohex-2-enone
• CAS Number: 1073-13-8
• Molecular Formula: C8H12O
• Molecular Weight: 124.1803
• MDL Number: MFCD00009695
• SMILES: O=C1CCC(C=C1)(C)C

Computed Properties

• Complexity: 154
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• XLogP3: 1.8

Upstream Synthesis Route

4,4-Dimethyl-2-cyclohexen-1-one is a valuable compound commonly used in chemical synthesis for its versatile applications. 1. Intermediary in organic synthesis: 4,4-Dimethyl-2-cyclohexen-1-one serves as a crucial building block in the production of various organic compounds. Its unique structure and reactivity make it an ideal intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrances.2. Flavor and fragrance industry: Due to its pleasant odor and ability to enhance aromatic profiles, 4,4-Dimethyl-2-cyclohexen-1-one is frequently employed in the flavor and fragrance industry. It contributes to the creation of fruity, floral, and spicy scents in perfumes, cosmetics, and food products.3. Research and development: Chemists utilize 4,4-Dimethyl-2-cyclohexen-1-one in laboratories to investigate various chemical reactions and mechanisms. Its role in the development of new synthetic pathways and novel compounds makes it a valuable tool for scientific exploration.4. Organic transformations: The presence of the cyclohexenone moiety in 4,4-Dimethyl-2-cyclohexen-1-one enables diverse functional group transformations, allowing for the modification and creation of complex organic molecules. It is employed in a wide range of transformations including oxidation, reduction, and cyclization reactions.Overall, 4,4-Dimethyl-2-cyclohexen-1-one's significance in chemical synthesis lies in its versatility and ability to facilitate the production of a broad spectrum of functionalized compounds across various industries and research fields.

Literature

• Origins of selectivity for the [2+2] cycloaddition of alpha,beta-unsaturated ketones within a porous self-assembled organic framework.

  Journal of the American Chemical Society 20080116

• An enantioselective total synthesis of (+)-ricciocarpin A.

  Organic letters 20060105

• Influence of tetrahydrofuran on reactivity, aggregation, and aggregate structure of dimethylcuprates in diethyl ether.

  Journal of the American Chemical Society 20051214