Description

Benzoic Acid, 2-Isothiocyanato-4,5-Dimethoxy-, Methyl Ester is a specialized organic compound featuring a benzoic acid core functionalized with an isothiocyanate group and methoxy substituents. This unique structure makes it a valuable high-purity chemical intermediate for advanced synthesis in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists working on novel active ingredients, particularly in the fields of medicinal chemistry and crop protection.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, especially those targeting specific enzyme pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides due to its reactive isothiocyanate moiety.
• Chemical Biology Probe: Serves as a tool compound for labeling or modifying proteins and other biomolecules in life science research.
• Organic Synthesis: Employed in academic and industrial laboratories for constructing complex heterocyclic compounds and other fine chemicals.
• Material Science Precursor: Potential use in the synthesis of specialized polymers or ligands for catalytic systems.

Basic Information

Product Name	Benzoic Acid, 2-Isothiocyanato-4,5-Dimethoxy-, Methyl Ester
CAS No.	113417-46-2
Molecular Formula	C11H11NO4S
Molecular Weight	253.28 g/mol
Synonyms	2-Isothiocyanato-4,5-dimethoxybenzoic acid methyl ester; Methyl 2-isothiocyanato-4,5-dimethoxybenzoate; 4,5-Dimethoxy-2-isothiocyanatobenzoic acid methyl ester; Benzoic acid, 2-isothiocyanato-4,5-dimethoxy-, methyl ester; Methyl 4,5-dimethoxy-2-isothiocyanatobenzoate
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 2-Isothiocyanato-4,5-Dimethoxy-, Methyl Ester is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by IR and NMR spectroscopy, to ensure it meets the high standards required for research and development applications. Certificates of Analysis (COA) documenting all critical parameters are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%

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