Description

Benzene, 1-[(1R)-1-Isothiocyanatoethyl]-3-Methoxy- (9Ci) is a specialized chiral organic compound featuring both an isothiocyanate functional group and a methoxy substituent on a benzene ring. This unique molecular architecture makes it a valuable high-purity building block for advanced chemical synthesis, particularly in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals. It is primarily sought by research institutions and fine chemical manufacturers engaged in medicinal chemistry, asymmetric synthesis, and the creation of targeted bioactive molecules.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new drug candidates, especially in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the production of advanced, targeted pesticides and herbicides where specific stereochemistry is crucial for activity.
• Chemical Biology & Proteomics: Serves as a reactive handle in activity-based protein profiling (ABPP) due to the electrophilic isothiocyanate group, which can covalently bind to nucleophilic amino acids.
• Ligand & Catalyst Development: Employed in the synthesis of novel chiral ligands and organocatalysts for asymmetric transformations.
• Material Science Research: Investigated as a monomer or functional additive for creating specialized polymers with unique optical or chemical properties.

Basic Information

Product Name	Benzene, 1-[(1R)-1-Isothiocyanatoethyl]-3-Methoxy- (9Ci)
CAS No.	749261-39-0
Molecular Formula	C10H11NO2S
Molecular Weight	209.26 g/mol
Synonyms	(R)-1-(3-Methoxyphenyl)ethyl isothiocyanate; 1-[(1R)-1-Isothiocyanatoethyl]-3-methoxybenzene; (R)-α-Methyl-3-methoxybenzyl isothiocyanate; (1R)-1-(3-Methoxyphenyl)ethyl isothiocyanate; (R)-Methyl(3-methoxyphenyl)carbin isothiocyanate; 3-Methoxy-α-methylbenzyl isothiocyanate, (R)-; Benzene, 1-[(1R)-1-isothiocyanatoethyl]-3-methoxy-
EINECS	Contact for details

Quality Control

Our high-purity chiral intermediates are manufactured under strict quality systems. Each batch is characterized using advanced analytical techniques including chiral HPLC, NMR, and GC/MS to ensure identity, purity, and enantiomeric excess (ee) meet rigorous specifications. Certificates of Analysis (COA) detailing all critical parameters are provided with every shipment to support your regulatory and R&D documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is light-sensitive (store away from light). For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%

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