Description

2-Isothiocyanato-n-Methyl-n-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide is a specialized organic compound featuring a unique molecular architecture combining isothiocyanate, amide, and pyrrolidinyl-cyclohexyl moieties. This structure makes it a valuable high-purity chemical intermediate for advanced research and synthesis, particularly in the development of novel pharmacologically active molecules. It is primarily sought by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in creating new chemical entities (NCEs) and targeted bioactive compounds.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of potential drug candidates, especially those targeting neurological or receptor-specific pathways.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization processes due to its complex, multifunctional scaffold.
• Bioconjugation & Probe Development: The reactive isothiocyanate group allows for covalent attachment to biomolecules (e.g., proteins, peptides) for creating diagnostic probes or targeted conjugates.
• Chemical Biology Tool: Employed in the development of chemical probes to study enzyme function or protein-protein interactions within biological systems.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses producing specialized compounds for client-driven research projects.
• Academic Research: Utilized in university and institutional labs for exploratory synthetic chemistry and the development of new methodologies.

Basic Information

Product Name	2-Isothiocyanato-n-Methyl-n-(2-(1-Pyrrolidinyl)Cyclohexyl)Benzeneacetamide
CAS No.	118243-28-0
Molecular Formula	C₂₀H₂₇N₃O₂S
Molecular Weight	373.51 g/mol
Synonyms	N-Methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-2-isothiocyanatobenzeneacetamide; 2-Isothiocyanato-N-methyl-N-[2-(pyrrolidin-1-yl)cyclohexyl]benzeneacetamide; Benzeneacetamide, 2-isothiocyanato-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-; U-50488 Isothiocyanate derivative; κ-opioid receptor ligand intermediate; Kappa opioid receptor probe intermediate
EINECS	Contact for details

Quality Control

Our high-purity research-grade material is produced under strict quality management protocols. Every batch undergoes comprehensive analytical characterization, including HPLC for purity verification and structural confirmation via spectroscopic methods (NMR, MS). We provide a detailed Certificate of Analysis (COA) with each shipment, ensuring traceability and compliance with your research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container should be kept in a desiccated environment to prevent moisture uptake, which may affect stability and handling properties.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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