100-45-8 | 4-Cyano-1-cyclohexene

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$90.00	$63.00
10g	95%	in stock	$168.00	$118.00
50g	95%	in stock	$477.00	$334.00

Description

• Catalog Number: AA00026
• Chemical Name: 4-Cyano-1-cyclohexene
• CAS Number: 100-45-8
• Molecular Formula: C7H9N
• Molecular Weight: 107.1531
• MDL Number: MFCD00013778
• SMILES: N#CC1CCC=CC1
• NSC Number: 7407

Computed Properties

• Complexity: 138
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.5

Upstream Synthesis Route

Cyclohex-3-enecarbonitrile, also known as 3-Cyclohexen-1-carbonitrile, is a key compound widely utilized in organic synthesis. This compound serves as a versatile building block in the preparation of various complex molecules due to its unique chemical reactivity and functional groups.One of the main applications of Cyclohex-3-enecarbonitrile in chemical synthesis is its role as a starting material for the synthesis of heterocyclic compounds. By undergoing various reactions such as nucleophilic additions and cyclizations, Cyclohex-3-enecarbonitrile can be transformed into a variety of heterocyclic structures with diverse properties and functionalities. These heterocycles are important in medicinal chemistry, materials science, and agrochemical research.Additionally, Cyclohex-3-enecarbonitrile can participate in multicomponent reactions to form complex molecules in a single step. These reactions offer an efficient way to construct molecular scaffolds with high structural diversity, making Cyclohex-3-enecarbonitrile a valuable tool for the synthesis of pharmaceuticals, natural products, and functional materials.In summary, Cyclohex-3-enecarbonitrile plays a crucial role in the field of chemical synthesis by enabling the synthesis of diverse compounds and providing access to complex molecular architectures with potential applications across various industries.