10412-98-3 | 5-Ketohexanenitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$39.00	$27.00
1g	95%	in stock	$65.00	$45.00
5g	95%	in stock	$177.00	$124.00
25g	95%	in stock	$650.00	$455.00
100g	95%	in stock	$2,265.00	$1,585.00

Description

• Catalog Number: AB69349
• Chemical Name: 5-Ketohexanenitrile
• CAS Number: 10412-98-3
• Molecular Formula: C6H9NO
• Molecular Weight: 111.1418
• MDL Number: MFCD00010671
• SMILES: N#CCCCC(=O)C

Computed Properties

• Complexity: 120
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: -0.1

Upstream Synthesis Route

5-Oxohexanenitrile, also known as capronitrile, is a versatile intermediate compound frequently employed in chemical synthesis. This specific nitrile compound plays a crucial role in various organic reactions due to its unique properties and functional groups. One key application of 5-Oxohexanenitrile is its utilization as a building block in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. In chemical synthesis, 5-Oxohexanenitrile serves as a precursor for the preparation of diverse compounds through various transformational reactions. It can undergo nucleophilic addition reactions, such as hydrolysis to yield carboxylic acids or reduction to produce primary amines. Additionally, 5-Oxohexanenitrile can be utilized in the synthesis of heterocyclic compounds, providing access to a wide range of structurally diverse molecules with potential biological activities.Moreover, 5-Oxohexanenitrile can participate in condensation reactions with different reagents to form highly functionalized molecules with multiple chemical bonds. Its carbonyl group enables the formation of new carbon-carbon bonds, allowing for the creation of complex molecular architectures. Furthermore, the chemical versatility of 5-Oxohexanenitrile makes it a valuable tool in the development of novel compounds with tailored properties for various applications in the pharmaceutical, agricultural, and material science industries.Overall, 5-Oxohexanenitrile plays a fundamental role in chemical synthesis by serving as a crucial intermediate for the construction of diverse organic compounds with potential industrial applications. Its unique reactivity and functional groups make it a valuable building block for the creation of new molecules with enhanced properties and functionalities.

Literature

• Yeast cell factories for fine chemical and API production.

  Microbial cell factories 20080101