100453-11-0 | Ethyl 1-methylbutyl cyanoacetate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$51.00	$36.00
5g	95%	in stock	$150.00	$105.00
25g	95%	in stock	$444.00	$311.00

Description

• Catalog Number: AA02416
• Chemical Name: Ethyl 1-methylbutyl cyanoacetate
• CAS Number: 100453-11-0
• Molecular Formula: C12H21NO2
• Molecular Weight: 211.3006
• MDL Number: MFCD00799271
• SMILES: CCCC(C(C(=O)OCC)(C#N)CC)C

Computed Properties

• Complexity: 254
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Undefined Atom Stereocenter Count: 2
• XLogP3: 3.5

Upstream Synthesis Route

Ethyl 2-cyano-2-ethyl-3-methylhexanoate is a key reagent in chemical synthesis, frequently employed in the production of pharmaceuticals, agrochemicals, and other fine chemicals. This compound acts as an important building block in organic reactions, particularly in the formation of complex molecular structures. Its unique molecular structure and functional groups make it a versatile intermediate in various synthetic pathways, allowing for the creation of diverse compounds with valuable properties. In chemical synthesis, Ethyl 2-cyano-2-ethyl-3-methylhexanoate serves as a crucial tool for chemists to design and fabricate novel materials with tailored functionalities and applications.