Description

Ethyl cis-2-Isothiocyanato-1-Cyclohexanecarboxylate, 97 is a high-purity, specialized organic building block featuring both an isothiocyanate and an ester functional group on a cyclohexane ring. This compound matters as a versatile intermediate for synthesizing complex molecules, particularly in medicinal chemistry and agrochemical research. Pharmaceutical and fine chemical manufacturers need it for developing novel therapeutic agents and advanced materials, leveraging its unique reactivity profile for creating thiourea derivatives and heterocyclic compounds.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly in creating thiourea-based molecules with potential biological activity.
• Agrochemical Research: Used in the synthesis of advanced pesticides and herbicides, where the isothiocyanate moiety can impart specific bioactivity.
• Chemical Biology Probe Development: Serves as a building block for creating activity-based probes (ABPs) that target specific enzymes or biological pathways.
• Polymer & Material Science: Acts as a monomer or cross-linking agent in the production of specialty polymers with tailored properties.
• Organic Synthesis Research: A valuable reagent for academic and industrial R&D in constructing complex, stereodefined heterocycles and functionalized cyclohexanes.
• Ligand Synthesis for Catalysis: Used to prepare novel ligands for transition metal catalysts employed in asymmetric synthesis.

Basic Information

Product Name	Ethyl cis-2-Isothiocyanato-1-Cyclohexanecarboxylate, 97
CAS No.	336185-30-9
Molecular Formula	C10H15NO2S
Molecular Weight	213.30 g/mol
Synonyms	Ethyl cis-2-Isothiocyanatocyclohexanecarboxylate; cis-Ethyl 2-isothiocyanatocyclohexanecarboxylate; Cyclohexanecarboxylic acid, 2-isothiocyanato-, ethyl ester, cis-; Ethyl (1R,2S)-2-isothiocyanatocyclohexane-1-carboxylate (if stereochemistry is defined); Ethyl 2-isothiocyanato-1-cyclohexanecarboxylate; 2-Isothiocyanatocyclohexanecarboxylic Acid Ethyl Ester
EINECS	Contact for details

Quality Control

Our Ethyl cis-2-Isothiocyanato-1-Cyclohexanecarboxylate, 97 undergoes rigorous quality testing to ensure compliance with industry standards for research and development use. Each batch is controlled to meet the specified purity of 97% (by HPLC) and is accompanied by a comprehensive Certificate of Analysis (COA) available upon request. Our quality management system ensures traceability and consistency for all our fine chemical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. This material is light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Specific Rotation (if chiral)	Contact for details

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