40018-25-5 | 2-Chlorobenzoylacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$16.00	$11.00
1g	95%	in stock	$19.00	$13.00
10g	95%	in stock	$29.00	$20.00
100g	95%	in stock	$200.00	$140.00

Description

• Catalog Number: AB43986
• Chemical Name: 2-Chlorobenzoylacetonitrile
• CAS Number: 40018-25-5
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.603
• MDL Number: MFCD00051624
• SMILES: N#CCC(=O)c1ccccc1Cl

Computed Properties

• Complexity: 218
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2

Upstream Synthesis Route

3-(2-Chlorophenyl)-3-oxopropanenitrile, also known as $name$, serves as a versatile building block in chemical synthesis due to its unique chemical properties. This compound finds extensive application in organic chemistry as a key intermediate for the preparation of various complex molecules. In particular, it is commonly employed in the synthesis of pharmaceutical compounds, agrochemicals, and other fine chemicals.One important application of 3-(2-Chlorophenyl)-3-oxopropanenitrile is in the production of heterocyclic compounds, where it acts as a precursor for the formation of diverse ring structures. By undergoing different types of reactions, such as cycloadditions and condensations, this compound plays a crucial role in the construction of biologically active molecules with complex three-dimensional arrangements.Additionally, the presence of the cyano group in 3-(2-Chlorophenyl)-3-oxopropanenitrile allows for further functionalization through various chemical transformations. This enables chemists to modify the structure of the molecule and introduce specific functionalities that are essential for the desired properties of the end products.Furthermore, the ability of 3-(2-Chlorophenyl)-3-oxopropanenitrile to participate in regioselective and stereoselective reactions contributes to its significance in the synthesis of chiral compounds. This compound can be utilized in asymmetric synthesis strategies to access enantiopure molecules, which are crucial in the development of pharmaceuticals and other high-value chemicals.Overall, the versatile nature of 3-(2-Chlorophenyl)-3-oxopropanenitrile makes it a valuable tool for chemists engaged in designing and synthesizing novel compounds for various applications in the fields of drug discovery, materials science, and agrochemistry.