Description

1-(3-Isothiocyanato-Propyl)-3,5-Dimethyl-1H-Pyrazole is a specialized heterocyclic building block featuring a reactive isothiocyanate group. This compound is valued for its role as a versatile intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working in medicinal chemistry and fine chemical manufacturing. The reactive isothiocyanate moiety allows for efficient conjugation under mild conditions, making it a critical component for constructing targeted molecular scaffolds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in kinase inhibitor and anti-cancer agent research.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides, leveraging the pyrazole core for biological activity.
• Bioconjugation Reagent: The isothiocyanate group enables covalent attachment to amines, useful for labeling proteins, peptides, and other biomolecules in diagnostic and biochemical research.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialty polymers and functional materials.
• Chemical Biology Probes: Utilized to create activity-based probes for studying enzyme function and cellular pathways.
• Ligand Synthesis for Catalysis: Acts as a precursor for synthesizing novel ligands used in homogeneous catalysis.

Basic Information

Product Name	1-(3-Isothiocyanato-Propyl)-3,5-Dimethyl-1H-Pyrazole
CAS No.	1004643-59-7
Molecular Formula	C9H13N3S
Molecular Weight	195.28 g/mol
Synonyms	3,5-Dimethyl-1-(3-isothiocyanatopropyl)-1H-pyrazole; 1H-Pyrazole, 1-(3-isothiocyanatopropyl)-3,5-dimethyl-; 3,5-Dimethyl-1-(3-isothiocyanopropyl)pyrazole; NSC 781106; 1-(3-Isothiocyanopropyl)-3,5-dimethylpyrazole; 3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 1-(3-Isothiocyanato-Propyl)-3,5-Dimethyl-1H-Pyrazole is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and development applications. A detailed Certificate of Analysis (COA) is provided with every shipment, guaranteeing traceability, consistency, and reliability for your critical synthesis work.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (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. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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