114736-25-3 | (E)-Ethyl 4,4-dimethoxybut-2-enoate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$18.00	$13.00
1g	95%	in stock	$23.00	$17.00
5g	95%	in stock	$52.00	$36.00
10g	95%	in stock	$63.00	$44.00
25g	95%	in stock	$102.00	$71.00
100g	95%	in stock	$372.00	$260.00

Description

• Catalog Number: AA19386
• Chemical Name: (E)-Ethyl 4,4-dimethoxybut-2-enoate
• CAS Number: 114736-25-3
• Molecular Formula: C8H14O4
• Molecular Weight: 174.1944
• MDL Number: MFCD06204472
• SMILES: CCOC(=O)/C=C/C(OC)OC

Computed Properties

• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• XLogP3: 0.6

Upstream Synthesis Route

(E)-Ethyl 4,4-dimethoxybut-2-enoate is a versatile compound commonly used in chemical synthesis as a valuable building block for creating complex organic molecules. Its unique structure, containing both an ester and an alkene group, enables it to participate in a variety of chemical reactions, making it a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and natural products.One of the main applications of (E)-Ethyl 4,4-dimethoxybut-2-enoate is in the formation of carbon-carbon bonds through cross-coupling reactions. By selectively modifying the ester or alkene functional groups, chemists can tailor the reactivity of the compound to achieve specific bond formations and stereochemistries. Additionally, the presence of methoxy groups enhances the compound's stability and solubility in various reaction conditions.In organic synthesis, (E)-Ethyl 4,4-dimethoxybut-2-enoate serves as a valuable starting material for the construction of complex molecules with diverse functionalities. Its strategic placement within a synthetic scheme allows chemists to introduce structural motifs that are challenging to access by other means, expanding the scope of synthetic possibilities in drug discovery, material science, and other research areas.