Description

Cyclohexanecarboxylic Acid, 4-Ethynyl-, trans- (9Ci) is a specialized organic building block featuring a rigid cyclohexane backbone substituted with both a carboxylic acid and an ethynyl (acetylene) functional group. This unique molecular architecture, particularly the trans configuration, makes it a valuable intermediate for constructing complex, three-dimensional structures in advanced chemical synthesis. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical sectors for applications such as medicinal chemistry, drug discovery, and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in creating molecules with defined stereochemistry.
• Medicinal Chemistry: Used in structure-activity relationship (SAR) studies and as a building block for fragment-based drug discovery due to its alkyne handle for click chemistry and other coupling reactions.
• Agrochemical Synthesis: Serves as a precursor in the development of novel herbicides, fungicides, and plant growth regulators requiring specific stereochemical properties.
• Ligand and Catalyst Development: The carboxylic acid and alkyne groups allow for the creation of novel chelating ligands and organometallic catalysts.
• Material Science Research: Employed in the synthesis of advanced polymers, dendrimers, and functionalized surfaces where the rigid, substituted cyclohexane unit imparts specific physical properties.
• Academic & Industrial R&D: A versatile reagent for methodological development in organic synthesis, including asymmetric hydrogenation and cross-coupling reactions.

Basic Information

Product Name	Cyclohexanecarboxylic Acid, 4-Ethynyl-, trans- (9Ci)
CAS No.	88075-27-8
Molecular Formula	C9H12O2
Molecular Weight	152.19 g/mol
Synonyms	trans-4-Ethynylcyclohexanecarboxylic Acid; (1r,4r)-4-Ethynylcyclohexane-1-carboxylic Acid; 4-Ethynylcyclohexanecarboxylic Acid, trans-; 4-Ethynyl-cyclohexanecarboxylic acid; 4-Ethynylcyclohexanecarboxylic acid (trans-); Cyclohexanecarboxylic acid, 4-ethynyl-, (1r,4r)-rel-; 88075-27-8; (trans)-4-Ethynyl-1-cyclohexanecarboxylic acid
EINECS	Contact for details

Quality Control

Our Cyclohexanecarboxylic Acid, 4-Ethynyl-, trans- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and chiral purity analysis, to ensure high chemical and isomeric purity suitable for demanding R&D applications. Certificates of Analysis (COA) with detailed specifications are provided to guarantee traceability and batch-to-batch consistency.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% trans-isomer
Melting Point	Contact for details
Loss on Drying	≤ 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.