Description

1-Benzyl-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole is a specialized heterocyclic building block featuring a reactive isothiocyanate functional group. This compound is of significant value in medicinal chemistry and agrochemical research for the synthesis of novel thiourea derivatives and other pharmacologically active scaffolds. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, biotechnology, and crop protection industries for lead optimization and library synthesis.

Application

• Pharmaceutical Intermediate: A key precursor for synthesizing novel small molecule drug candidates, particularly kinase inhibitors and anti-cancer agents.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and pesticides by creating thiourea-linked active ingredients.
• Chemical Biology Probe Synthesis: Employed to create activity-based probes (ABPs) for studying enzyme function and target engagement in biological systems.
• Peptidomimetic Chemistry: Serves as a scaffold for constructing peptidomimetics and constrained analogs to modulate peptide-protein interactions.
• Material Science: Potential monomer or cross-linking agent in the development of specialty polymers with unique thermal or mechanical properties.
• Academic Research: Utilized in universities and research institutes for methodological studies in heterocyclic and organosulfur chemistry.

Basic Information

Product Name	1-Benzyl-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole
CAS No.	1004193-59-2
Molecular Formula	C13H13N3S
Molecular Weight	243.33 g/mol
Synonyms	1-Benzyl-3,5-dimethyl-4-isothiocyanato-1H-pyrazole; 4-Isothiocyanato-1-benzyl-3,5-dimethyl-1H-pyrazole; 1H-Pyrazole, 1-benzyl-4-isothiocyanato-3,5-dimethyl-; Benzyl Isothiocyanato Dimethyl Pyrazole Derivative; Pyrazole Isothiocyanate Building Block
EINECS	Contact for details

Quality Control

Our 1-Benzyl-4-Isothiocyanato-3,5-Dimethyl-1H-Pyrazole is manufactured under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, documenting all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and development applications.

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). Keep the container tightly sealed under an inert atmosphere to prevent moisture absorption and degradation. Isolate from strong oxidizing agents and bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
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.