1129-35-7 | Methyl 4-cyanobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$19.00	$13.00
10g	95%	in stock	$22.00	$15.00
25g	95%	in stock	$44.00	$31.00
100g	95%	in stock	$76.00	$53.00

Description

• Catalog Number: AB67314
• Chemical Name: Methyl 4-cyanobenzoate
• CAS Number: 1129-35-7
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.1574
• MDL Number: MFCD00001823
• SMILES: COC(=O)c1ccc(cc1)C#N

Computed Properties

• Complexity: 208
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2

Upstream Synthesis Route

Methyl 4-cyanobenzoate is a powerful building block in chemical synthesis due to its versatile reactivity and structural properties. Known for its ability to undergo various transformations, this compound serves as a key intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals.One common application of Methyl 4-cyanobenzoate is its utilization in the synthesis of heterocyclic compounds. Through strategic functional group manipulations, this compound can be transformed into a wide range of heterocycles, such as pyridines, pyrimidines, and quinolines. These heterocyclic structures are essential components in many biologically active molecules, making Methyl 4-cyanobenzoate a valuable starting material for drug discovery and development.Additionally, Methyl 4-cyanobenzoate plays a crucial role in the preparation of dyes and pigments. By incorporating this compound into the molecular framework, researchers can access a diverse array of colorful and light-stable products for various industrial applications. The chemical versatility of Methyl 4-cyanobenzoate allows for precise control over the synthetic pathways, enabling the production of high-quality dyes with tailored properties.Overall, the versatile nature of Methyl 4-cyanobenzoate makes it an indispensable tool for chemists seeking to access complex molecular architectures with specific functionalities. Whether used in pharmaceutical synthesis, agrochemical development, or materials science, this compound offers a powerful platform for innovative chemical transformations and product design.

Literature

• Influence of solvent, electron acceptors and arenes on photochemical decarboxylation of free carboxylic acids via single electron transfer (SET).

  Molecules (Basel, Switzerland) 20100412