Description

Benzene, 1-[(1S)-1-Isothiocyanatoethyl]-3-Methoxy- (9Ci) is a specialized chiral aromatic compound featuring both isothiocyanate and methoxy functional groups. This unique structure makes it a valuable high-purity building block for advanced organic synthesis and pharmaceutical research. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for creating novel molecular entities and intermediates.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs.
• Agrochemical Synthesis: Serves as a precursor in the design and synthesis of novel herbicides, fungicides, and insecticides, leveraging its reactive isothiocyanate group.
• Ligand and Catalyst Development: Used in the preparation of specialized ligands for asymmetric catalysis and metal-organic frameworks (MOFs).
• Bioconjugation and Probe Chemistry: The isothiocyanate moiety allows for covalent bonding with amines, making it useful for labeling proteins, peptides, and other biomolecules in biochemical research.
• Fine Chemical Production: Employed in the multi-step synthesis of complex, high-value specialty chemicals and flavors & fragrances.
• Academic and Institutional Research: A critical reagent for methodological studies in organic synthesis and for investigating structure-activity relationships (SAR).

Basic Information

Item	Detail
Product Name	Benzene, 1-[(1S)-1-Isothiocyanatoethyl]-3-Methoxy- (9Ci)
CAS No.	737000-99-6
Molecular Formula	C10H11NO2S
Molecular Weight	209.26 g/mol
Synonyms	(S)-1-(1-Isothiocyanatoethyl)-3-methoxybenzene; 1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene; 3-Methoxy-α-methylbenzyl isothiocyanate, (S)-; m-Methoxy-α-methylbenzyl isothiocyanate; (S)-m-Methoxy-α-methylbenzyl isothiocyanate; Benzene, 1-[(1S)-1-isothiocyanatoethyl]-3-methoxy-; (S)-1-Isothiocyanato-1-(3-methoxyphenyl)ethane
EINECS	Contact for details

Quality Control

Our production of Benzene, 1-[(1S)-1-Isothiocyanatoethyl]-3-Methoxy- (9Ci) adheres to stringent internal quality standards to ensure batch-to-batch consistency and high chemical purity. Identity, purity, and chiral integrity are verified using advanced analytical techniques. A comprehensive Certificate of Analysis (COA) detailing all relevant specifications 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 (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (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.