120069-21-8 | 2-(Isopropylsulfonyl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$212.00	$148.00
1g	95%	in stock	$425.00	$297.00

Description

• Catalog Number: AA33814
• Chemical Name: 2-(Isopropylsulfonyl)acetonitrile
• CAS Number: 120069-21-8
• Molecular Formula: C5H9NO2S
• Molecular Weight: 147.1955
• MDL Number: MFCD00051755
• SMILES: CC(S(=O)(=O)CC#N)C

Computed Properties

• Complexity: 213
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 0.2

Upstream Synthesis Route

The application of 2-(Isopropylsulfonyl)acetonitrile in chemical synthesis is particularly valuable in organic chemistry reactions. This compound serves as a versatile intermediate in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactive functional groups make it a key building block for creating complex organic molecules. With its sulfonyl and acetonitrile moieties, 2-(Isopropylsulfonyl)acetonitrile participates in a wide range of reactions, including nucleophilic addition, substitution, and condensation reactions. Its presence in a synthesis pathway can promote the formation of desired products by enabling the introduction of specific functional groups or stereochemistry. Additionally, the isopropyl group provides steric hindrance, which can influence the selectivity and efficiency of the chemical transformations. In summary, 2-(Isopropylsulfonyl)acetonitrile plays a crucial role in modern organic synthesis by facilitating the construction of intricate molecular structures with tailored properties and functionalities.