Description

Benzene, 1-[(1S)-1-Isothiocyanatoethyl]-4-Methoxy- (9Ci) is a specialized chiral organic compound featuring both an isothiocyanate functional group and a methoxy-substituted benzene ring. This unique structure 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 requiring specific stereochemistry for efficacy.
• Chemical Biology Research: Serves as a reactive handle for bioconjugation and probe development due to the isothiocyanate group's affinity for amines.
• Ligand and Catalyst Development: Employed in the synthesis of novel chiral ligands and organocatalysts for asymmetric reactions.
• Material Science Precursor: Potential use in creating specialized monomers for advanced polymeric materials with specific optical or chemical properties.

Basic Information

Product Name	Benzene, 1-[(1S)-1-Isothiocyanatoethyl]-4-Methoxy- (9Ci)
CAS No.	737001-01-3
Molecular Formula	C10H11NO2S
Molecular Weight	209.26 g/mol
Synonyms	(S)-1-(4-Methoxyphenyl)ethyl isothiocyanate; 1-[(1S)-1-Isothiocyanatoethyl]-4-methoxybenzene; p-Methoxy-α-methylbenzyl isothiocyanate, (S)-; Benzene, 1-[(1S)-1-isothiocyanatoethyl]-4-methoxy-; (S)-(-)-1-(4-Methoxyphenyl)ethyl isothiocyanate; (S)-1-(p-Methoxyphenyl)ethyl isothiocyanate; (S)-α-Methyl-4-methoxybenzyl isothiocyanate
EINECS	Contact for details

Quality Control

Our production of this chiral intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and high enantiomeric purity, critical for sensitive synthetic applications. Quality is verified through advanced analytical techniques including HPLC, chiral GC, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity (assay), enantiomeric excess (ee), and impurity profile is provided with each shipment.

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). The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral GC/HPLC)	≥ 99.0% ee
Water Content (KF Titration)	≤ 0.5%

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