Description

Ethanone, 1-[(1R,3S)-3-Isocyanato-2,2-Dimethylcyclobutyl]-, Rel- (9Ci) is a high-purity, chiral isocyanate derivative featuring a cyclobutane ring, designed for advanced synthetic applications. This compound serves as a critical building block for the synthesis of complex molecules, offering precise stereochemical control. It is primarily utilized by pharmaceutical and agrochemical research and development teams for creating novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting specific biological receptors.
• Agrochemical Synthesis: Used in the research and production of advanced crop protection agents and herbicides, where its structural motif can contribute to efficacy and selectivity.
• Polymer Science: Acts as a specialized monomer or cross-linking agent for the synthesis of high-performance polyurethanes and other polymers with tailored properties.
• Ligand and Catalyst Development: Serves as a precursor for creating novel chiral ligands and organocatalysts used in asymmetric synthesis.
• Fine Chemical Production: Employed in custom synthesis and contract manufacturing for producing complex, high-value specialty chemicals.
• Material Science Research: Investigated for creating novel organic frameworks or functional materials with specific optical or mechanical characteristics.

Basic Information

Product Name	Ethanone, 1-[(1R,3S)-3-Isocyanato-2,2-Dimethylcyclobutyl]-, Rel- (9Ci)
CAS No.	410069-62-4
Molecular Formula	C9H13NO2
Molecular Weight	167.21 g/mol
Synonyms	1-[(1R,3S)-3-Isocyanato-2,2-dimethylcyclobutyl]ethanone; (1R,3S)-3-Isocyanato-2,2-dimethylcyclobutyl methyl ketone; rel-(1R,3S)-1-Acetyl-3-isocyanato-2,2-dimethylcyclobutane; 2,2-Dimethyl-3-isocyanatocyclobutyl methyl ketone; (1R,3S)-1-Acetyl-2,2-dimethyl-3-isocyanatocyclobutane; 410069-62-4; Cyclobutane derivative isocyanate
EINECS	Contact for details

Quality Control

Our production of Ethanone, 1-[(1R,3S)-3-Isocyanato-2,2-Dimethylcyclobutyl]-, Rel- (9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles. We employ advanced analytical techniques including HPLC, GC, and chiral analysis to meet the exacting standards required for pharmaceutical and fine chemical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Isocyanate Content (Titration)	Conforms

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