118449-57-3 | 3-(4-Bromophenoxy)propanenitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$62.00	$44.00
5g	97%	in stock	$227.00	$159.00
10g	97%	in stock	$395.00	$277.00
25g	97%	in stock	$752.00	$527.00

Description

• Catalog Number: AB63207
• Chemical Name: 3-(4-Bromophenoxy)propanenitrile
• CAS Number: 118449-57-3
• Molecular Formula: C9H8BrNO
• Molecular Weight: 226.0699
• MDL Number: MFCD00634314
• SMILES: N#CCCOc1ccc(cc1)Br

Computed Properties

• Complexity: 167
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 2.3

Upstream Synthesis Route

3-(4-Bromophenoxy)propanenitrile is a versatile compound widely utilized in chemical synthesis for its valuable applications. This compound serves as a key building block in the development of various organic molecules and pharmaceuticals. Due to the presence of the nitrile functional group, it is commonly employed as a precursor in the synthesis of more complex compounds through transformations such as nucleophilic substitution and metal-catalyzed reactions.In chemical synthesis, 3-(4-Bromophenoxy)propanenitrile acts as a valuable intermediate in the construction of heterocyclic compounds, which are prevalent in drug discovery and materials science. Its ability to undergo selective functional group transformations makes it a crucial component in the creation of diverse molecular structures. Furthermore, the bromophenyl moiety provides a convenient handle for further modification, enabling the synthesis of a wide range of derivatives with tailored properties.Moreover, 3-(4-Bromophenoxy)propanenitrile plays a significant role in medicinal chemistry, where it is utilized in the design and synthesis of biologically active molecules. By incorporating this compound into drug development projects, researchers can explore new chemical space and potentially discover novel therapeutic agents with enhanced pharmacological profiles. Its structural features make it an attractive candidate for the modification of lead compounds to improve their potency, selectivity, and pharmacokinetic properties.Overall, the application of 3-(4-Bromophenoxy)propanenitrile in chemical synthesis offers a promising avenue for the creation of complex organic compounds with diverse functionalities, making it a valuable tool for synthetic chemists and researchers in various fields.