24463-41-0 | 1-Methyl-4-oxocyclohexanecarboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$89.00	$62.00
1g	95%	in stock	$92.00	$65.00
5g	95%	in stock	$319.00	$224.00
25g	95%	in stock	$1,348.00	$943.00

Description

• Catalog Number: AF33913
• Chemical Name: 1-Methyl-4-oxocyclohexanecarboxylic acid
• CAS Number: 24463-41-0
• Molecular Formula: C8H12O3
• Molecular Weight: 156.1791
• MDL Number: MFCD18374767
• SMILES: O=C1CCC(CC1)(C)C(=O)O

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.3

Upstream Synthesis Route

1-Methyl-4-oxocyclohexanecarboxylic acid, is a versatile compound widely used in chemical synthesis as a key building block for the development of various pharmaceuticals, agrochemicals, and fine chemicals. This compound serves as a crucial intermediate in the synthesis of complex organic molecules due to its unique chemical properties.The functional groups present in 1-Methyl-4-oxocyclohexanecarboxylic acid enable it to participate in a variety of chemical reactions, such as condensation, esterification, and hydrogenation. Its cyclohexane ring structure provides stability and rigidity, making it an ideal starting material for the construction of more intricate molecular structures.In pharmaceutical synthesis, 1-Methyl-4-oxocyclohexanecarboxylic acid is often utilized to introduce specific functionalities or chiral centers into drug candidates. Its ability to undergo selective transformations allows for the creation of tailored chemical entities with desired biological activities.Furthermore, in agrochemical research, this compound can be employed to design new pesticides or herbicides by incorporating functional groups that target specific biological pathways in pests or weeds. Its versatility in chemical synthesis makes it a valuable tool for the development of environmentally-friendly agricultural products.Overall, the application of 1-Methyl-4-oxocyclohexanecarboxylic acid in chemical synthesis plays a crucial role in the advancement of various industries, providing opportunities for the creation of innovative compounds with diverse functions and applications.