98-53-3 | 4-tert-Butylcyclohexanone

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$15.00	$10.00
5g	95%	in stock	$16.00	$11.00
25g	95%	in stock	$18.00	$13.00
500g	95%	in stock	$218.00	$152.00
1000g	95%	in stock	$369.00	$258.00

Description

• Catalog Number: AD15101
• Chemical Name: 4-tert-Butylcyclohexanone
• CAS Number: 98-53-3
• Molecular Formula: C10H18O
• Molecular Weight: 154.2493
• MDL Number: MFCD00001642
• SMILES: CC(C1CCC(=O)CC1)(C)C
• NSC Number: 73717

Computed Properties

• Complexity: 143
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.6

Upstream Synthesis Route

4-tert-Butylcyclohexanone is a versatile compound commonly used in chemical synthesis as a valuable building block in the creation of various organic molecules. With its unique molecular structure, this compound serves as a key intermediate in the synthesis of a wide range of pharmaceuticals, agrochemicals, and fine chemicals. Its substitution pattern and functional groups make it highly reactive and adaptable for use in numerous synthetic pathways.One of the primary applications of 4-tert-Butylcyclohexanone is as a precursor in the synthesis of complex organic compounds such as prostaglandins, which are important bioactive molecules with various physiological effects in the body. By undergoing various chemical transformations, this compound can be modified to introduce different functional groups or stereochemical features, allowing chemists to tailor the structure of the final product to achieve specific properties or biological activities.Furthermore, 4-tert-Butylcyclohexanone can also be used as a starting material for the preparation of chiral building blocks, which are essential for the synthesis of enantiomerically pure molecules. Its ability to undergo asymmetric transformations makes it a valuable tool in the production of optically active compounds that are crucial in the pharmaceutical industry for the development of new drugs with enhanced efficacy and reduced side effects.Overall, the versatility and reactivity of 4-tert-Butylcyclohexanone make it a valuable compound in chemical synthesis, allowing for the creation of intricate organic structures and enabling the construction of diverse molecular architectures with important applications in various fields of chemistry and medicine.

Literature

• Stereochemical dependence of 3JCH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives.

  The journal of physical chemistry. A 20111222

• On the synergistic catalytic properties of bimetallic mesoporous materials containing aluminum and zirconium: the Prins cyclisation of citronellal.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20110211

• Asymmetric solid-phase alkylation of ketones immobilized via SAMP hydrazone analogue linkers.

  Journal of combinatorial chemistry 20080101

• Mechanism of homogeneously and heterogeneously catalysed Meerwein-Ponndorf-Verley-Oppenauer reactions for the racemisation of secondary alcohols.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20040419