Description

5-Isothiocyanato-1,3-Benzenedicarboxylic Acid Dimethyl Ester is a versatile aromatic building block featuring both isothiocyanate and diester functional groups, enabling its use in advanced organic synthesis. This compound is valued for its role as a key intermediate in the development of heterocyclic compounds, pharmaceuticals, and functional materials. It is primarily sought by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzymes or receptors.
• Agrochemical Synthesis: Used in the development of new herbicides, fungicides, and plant growth regulators.
• Heterocyclic Chemistry: Serves as a crucial building block for constructing complex heterocyclic scaffolds like benzimidazoles, quinazolines, and thiazoles.
• Material Science: Employed in the research and development of specialty polymers, ligands for catalysis, and advanced organic frameworks.
• Bioconjugation & Probe Development: The reactive isothiocyanate group allows for covalent attachment to amines, useful in creating fluorescent probes or bioconjugates for biochemical research.
• Chemical Research: A valuable reagent for academic and industrial R&D in organic synthesis and medicinal chemistry.

Basic Information

Product Name	5-Isothiocyanato-1,3-Benzenedicarboxylic Acid Dimethyl Ester
CAS No.	72076-50-7
Molecular Formula	C11H9NO4S
Molecular Weight	251.26 g/mol
Synonyms	Dimethyl 5-Isothiocyanatoisophthalate; 5-Isothiocyanatoisophthalic Acid Dimethyl Ester; 1,3-Benzenedicarboxylic Acid, 5-Isothiocyanato-, Dimethyl Ester; Isophthalic Acid, 5-Isothiocyanato-, Dimethyl Ester; NSC 405124; AI3-52662; 5-(Isothiocyanato)dimethyl isophthalate
EINECS	Contact for details

Quality Control

Our 5-Isothiocyanato-1,3-Benzenedicarboxylic Acid Dimethyl Ester is produced under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and industrial synthesis. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles 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 room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation. Keep away from incompatible materials such as strong bases, amines, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Heavy Metals	≤ 20 ppm

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