76469-88-0 | Methyl 4-(cyanomethyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$12.00	$9.00
10g	98%	in stock	$15.00	$11.00
25g	98%	in stock	$37.00	$26.00
100g	98%	in stock	$147.00	$103.00

Description

• Catalog Number: AB46504
• Chemical Name: Methyl 4-(cyanomethyl)benzoate
• CAS Number: 76469-88-0
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.184
• MDL Number: MFCD00060695
• SMILES: N#CCc1ccc(cc1)C(=O)OC

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 2

Upstream Synthesis Route

Methyl 4-(cyanomethyl)benzoate, also known as M4CMB, is a versatile compound widely utilized in chemical synthesis for its unique properties and applications. In the realm of organic chemistry, M4CMB serves as a valuable building block in the synthesis of various compounds due to its reactive cyanomethyl group that can undergo numerous chemical transformations.One of the key applications of M4CMB lies in its ability to act as a precursor in the synthesis of pharmaceutical intermediates and agrochemicals. By strategically incorporating M4CMB into synthetic pathways, chemists can introduce the cyanomethyl functionality into target molecules, enabling the formation of structurally diverse and biologically active compounds. This structural motif is particularly valuable in medicinal chemistry, as it can impart beneficial pharmacological properties to the final products.Furthermore, the cyanomethyl group in M4CMB can participate in a variety of synthetic reactions such as nucleophilic addition, substitution, and cross-coupling reactions. This flexibility allows chemists to modify the chemical structure of M4CMB-derived intermediates in a controlled manner, leading to the synthesis of complex molecules with high efficiency and selectivity.Overall, Methyl 4-(cyanomethyl)benzoate is a versatile and valuable compound in chemical synthesis, offering synthetic chemists a powerful tool to access diverse chemical space and streamline the development of novel compounds with potential applications in various fields.