105-34-0 | Methyl cyanoacetate

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$5.00	$4.00
100g	98%	in stock	$6.00	$5.00
500g	98%	in stock	$19.00	$14.00
1000g	98%	in stock	$27.00	$19.00

Description

• Catalog Number: AB46560
• Chemical Name: Methyl cyanoacetate
• CAS Number: 105-34-0
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.088
• MDL Number: MFCD00001939
• SMILES: COC(=O)CC#N

Computed Properties

• Complexity: 110
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: -0.5

Upstream Synthesis Route

Methyl 2-cyanoacetate is a versatile compound widely utilized in chemical synthesis due to its valuable role as a building block in the creation of diverse organic compounds. Its unique structure and reactivity make it a crucial component in the synthesis of pharmaceuticals, agrochemicals, and various specialty chemicals. By serving as a precursor in numerous transformations, such as the Knoevenagel condensation, Methyl 2-cyanoacetate enables the introduction of cyano and carbonyl functionalities into target molecules. This compound's compatibility with a range of synthetic methodologies highlights its significance in the fine chemical industry, where precision and efficiency are paramount. Additionally, the ability of Methyl 2-cyanoacetate to undergo reactions like nucleophilic additions and condensations further underscores its utility in crafting complex molecular structures with strategic control over regio- and stereochemistry. Through strategic incorporation into synthetic routes, Methyl 2-cyanoacetate plays a crucial role in unlocking innovative pathways for the efficient production of valuable organic compounds essential for numerous applications.

Literature

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