Description

1,3-Cyclohexadiene-1-Carboxylic Acid, Ethyl Ester is a valuable ethyl ester derivative of a cyclohexadiene carboxylic acid, serving as a versatile synthetic intermediate and building block in advanced organic chemistry. Its conjugated diene structure makes it particularly useful for Diels-Alder cycloaddition reactions and other transformations to construct complex molecular frameworks. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries developing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug molecules and active pharmaceutical ingredients (APIs), particularly those requiring fused ring systems.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides, herbicides, and plant growth regulators.
• Diels-Alder Reaction Substrate: Its conjugated diene structure makes it an excellent diene component for [4+2] cycloadditions to form six-membered rings.
• Specialty Polymer & Material Science: Serves as a monomer or modifier in the development of novel polymers with specific optical or electronic properties.
• Organic Synthesis & Research: A versatile reagent for academic and industrial R&D laboratories exploring new synthetic methodologies and heterocyclic chemistry.
• Fragrance & Flavor Chemistry: Potential intermediate for the synthesis of specific terpene-like aroma compounds and flavor ingredients.

Basic Information

Product Name	1,3-Cyclohexadiene-1-Carboxylic Acid, Ethyl Ester
CAS No.	3725-40-4
Molecular Formula	C9H12O2
Molecular Weight	152.19 g/mol
Synonyms	Ethyl 1,3-Cyclohexadiene-1-carboxylate; 1-Carbethoxy-1,3-cyclohexadiene; 1,3-Cyclohexadiene-1-carboxylic acid ethyl ester; 1-Ethoxycarbonyl-1,3-cyclohexadiene; NSC 163045; Ethyl cyclohexa-1,3-diene-1-carboxylate
EINECS	223-076-3

Quality Control

Our 1,3-Cyclohexadiene-1-Carboxylic Acid, Ethyl Ester is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity assays and identity confirmation, to ensure it meets the high standards required for research and industrial synthesis. A Certificate of Analysis (COA) detailing specific results for purity, identity, and relevant impurities is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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