590-50-1 | 4,4-Dimethyl-2-pentanone

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$40.00	$28.00
5g	98%	in stock	$143.00	$100.00
25g	98%	in stock	$615.00	$430.00

Description

• Catalog Number: AB66258
• Chemical Name: 4,4-Dimethyl-2-pentanone
• CAS Number: 590-50-1
• Molecular Formula: C7H14O
• Molecular Weight: 114.1855
• MDL Number: MFCD00008854
• SMILES: CC(=O)CC(C)(C)C
• NSC Number: 944

Computed Properties

• Complexity: 87.1
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.6

Upstream Synthesis Route

4,4-Dimethyl-2-pentanone, also known as diisobutyl ketone, is a versatile compound commonly used in chemical synthesis. This ketone serves as a valuable solvent in various reactions due to its ability to dissolve a wide range of organic compounds. In organic synthesis, 4,4-Dimethyl-2-pentanone is frequently employed as a reaction medium for processes such as Grignard reactions, aldol condensations, and Suzuki couplings. Its high solvency power and low boiling point make it an ideal choice for facilitating these reactions by providing a medium for the reactants to interact effectively. Additionally, 4,4-Dimethyl-2-pentanone can act as a building block in the synthesis of complex organic molecules, owing to its ability to undergo various functional group transformations. Its unique structure and reactivity make it a valuable tool in the hands of synthetic chemists for achieving diverse chemical transformations and creating new compounds.

Literature

• Picosecond rotational interconversion adjacent to a C═O bond studied by two-dimensional infrared spectroscopy.

  The journal of physical chemistry. B 20120913

• Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO.

  Environmental science & technology 20020215