Description

4-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole is a versatile heterocyclic building block featuring a reactive isothiocyanate functional group attached to a pyrazole core. This compound is of significant value in synthetic organic and medicinal chemistry as a key intermediate for constructing more complex molecular architectures. It is primarily sought by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in lead optimization and the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel drug candidates, particularly for creating thiourea and heterocyclic derivatives with potential biological activity.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the pyrazole-isothiocyanate scaffold can be incorporated into active molecules.
• Chemical Biology Probe Synthesis: The reactive isothiocyanate group allows for conjugation with amines, making it useful for labeling proteins or other biomolecules in research applications.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of specialized polymers with unique thermal or chemical properties.
• Ligand Synthesis for Catalysis: Employed in the preparation of novel pyrazole-based ligands for transition metal catalysts used in asymmetric synthesis.

Basic Information

Product Name	4-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole
CAS No.	1001500-07-7
Molecular Formula	C6H7N3S
Molecular Weight	153.21 g/mol
Synonyms	1,3-Dimethyl-4-isothiocyanato-1H-pyrazole; 1,3-Dimethyl-1H-pyrazole-4-isothiocyanate; 4-Isothiocyanato-1,3-dimethylpyrazole; 1H-Pyrazole-4-isothiocyanate, 1,3-dimethyl-; 1,3-Dimethyl-4-pyrazole isothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Isothiocyanato-1,3-Dimethyl-1H-Pyrazole is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and FTIR, to ensure high purity and consistent chemical identity. Certificates of Analysis (COA) with detailed specifications are provided for every shipment to guarantee reliable performance in your synthetic applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. For long-term storage, it is recommended to keep the material under an inert atmosphere at temperatures between 2-8°C to maintain stability.

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	≤ 0.5%

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