Description

1,4-Benzenedicarboxylic Acid, 2-Isothiocyanato-, 1,4-Dimethyl Ester is a specialized organic compound featuring a reactive isothiocyanate group on a dimethyl terephthalate backbone. This unique bifunctional structure makes it a valuable high-purity chemical intermediate for synthesizing more complex molecules. It is primarily utilized by pharmaceutical research and development teams, agrochemical formulators, and advanced material scientists seeking to incorporate specific functional groups into their products.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting specific biological pathways.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, or plant growth regulators where the isothiocyanate moiety is integral to biological activity.
• Ligand and Probe Development: Acts as a precursor for creating specialized chemical probes, fluorescent tags, or chelating ligands used in biochemical assays and diagnostic applications.
• Polymer Modification: Employed to introduce functional side chains into polymer backbones, such as polyesters or polyamides, to alter material properties like adhesion, compatibility, or reactivity.
• Cross-linking Agent: Functions as a reactive cross-linker in the preparation of specialty resins, coatings, or hydrogels, leveraging the reactivity of the isothiocyanate group with amines or alcohols.
• Organic Synthesis Research: A versatile reagent in academic and industrial R&D laboratories for constructing complex heterocyclic compounds or other advanced organic structures.

Basic Information

Product Name	1,4-Benzenedicarboxylic Acid, 2-Isothiocyanato-, 1,4-Dimethyl Ester
CAS No.	489438-56-4
Molecular Formula	C11H9NO4S
Molecular Weight	251.26 g/mol
Synonyms	Dimethyl 2-Isothiocyanototerephthalate; 2-Isothiocyanato-1,4-benzenedicarboxylic Acid Dimethyl Ester; 2-Isothiocyanoterephthalic Acid Dimethyl Ester; Terephthalic Acid, 2-Isothiocyanato-, Dimethyl Ester; Dimethyl 2-Isothiocyanatoterephthalate; 1,4-Dimethyl 2-Isothiocyanatoterephthalate; 2-Isothiocyanato-dimethyl Terephthalate
EINECS	Contact for details

Quality Control

Our production of 1,4-Benzenedicarboxylic Acid, 2-Isothiocyanato-, 1,4-Dimethyl Ester adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and spectroscopic identification (IR, NMR), to ensure it meets precise customer specifications. A Certificate of Analysis (COA) detailing all test results is provided with every shipment to guarantee traceability and compliance with your research or production standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept sealed to prevent degradation from atmospheric moisture. Keep away from incompatible materials such as strong bases, amines, and alcohols.

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%
Residue on Ignition	≤ 0.1%

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