Description

5-Hexenoic Acid, 4,4-Dimethyl-3-Oxo-, Ethyl Ester is a specialized organic ester featuring a reactive terminal alkene and a β-ketoester moiety. This unique bifunctional structure makes it a valuable versatile building block for synthesizing complex molecules in fine chemical and pharmaceutical research. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced material sectors for constructing heterocycles, chiral intermediates, and functional polymers.

Application

• Pharmaceutical Intermediate: Key precursor for synthesizing heterocyclic compounds and active pharmaceutical ingredients (APIs) via Michael addition, cyclization, or olefin metathesis reactions.
• Agrochemical Synthesis: Building block for creating novel herbicides, fungicides, and plant growth regulators that require specific ketone and alkene functionalities.
• Polymer & Material Science: Monomer or cross-linking agent for producing specialty polymers with tailored properties, utilizing the reactivity of both the alkene and ester groups.
• Organic Synthesis & Catalysis Research: A versatile substrate for developing new synthetic methodologies, including asymmetric catalysis and tandem reaction sequences.
• Flavor & Fragrance Industry: Potential intermediate for the synthesis of complex ester-based aroma molecules, given its structural complexity.
• Ligand & Chelator Preparation: Starting material for synthesizing polydentate ligands used in metal catalysis and coordination chemistry.

Basic Information

Product Name	5-Hexenoic Acid, 4,4-Dimethyl-3-Oxo-, Ethyl Ester
CAS No.	66248-79-1
Molecular Formula	C10H16O3
Molecular Weight	184.23 g/mol
Synonyms	Ethyl 4,4-Dimethyl-3-oxo-5-hexenoate; 5-Hexenoic acid, 4,4-dimethyl-3-oxo-, ethyl ester; 3-Oxo-4,4-dimethyl-5-hexenoic acid ethyl ester; Ethyl (4,4-dimethyl-3-oxopent-4-en-1-yl)carboxylate; 4,4-Dimethyl-3-oxo-5-hexenoic Acid Ethyl Ester
EINECS	Contact for details

Quality Control

Our production of 5-Hexenoic Acid, 4,4-Dimethyl-3-Oxo-, Ethyl Ester adheres to stringent in-process controls to ensure batch-to-batch consistency and high chemical purity. Every lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles. We support custom synthesis and can tailor specifications, including chiral purity, to meet specific research or cGMP starting material requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.