Description

3H-Pyrazole-4-Carbonitrile,4,5-Dihydro-3,3-Dimethyl-5-(1-Phenylethylidene)-,(5E)-(9Ci) is a specialized pyrazole derivative carbonitrile compound, serving as a versatile and high-value synthetic intermediate. Its molecular structure, featuring a nitrile group and a phenylethylidene moiety, makes it a critical building block for constructing complex heterocyclic systems. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, where it is used to develop novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the research and development of new pesticides and herbicides, leveraging its heterocyclic core.
• Organic Light-Emitting Diode (OLED) Materials: Serves as a building block for electron-transport or host materials in advanced display technologies.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalytic applications.
• Chemical Biology Probes: Utilized in the design of molecular probes for studying enzyme function and biological pathways.
• Advanced Material Research: Acts as a monomer or precursor in the development of specialty polymers and functional materials.

Basic Information

Product Name	3H-Pyrazole-4-Carbonitrile,4,5-Dihydro-3,3-Dimethyl-5-(1-Phenylethylidene)-,(5E)-(9Ci)
CAS No.	820245-91-8
Molecular Formula	C14H15N3
Molecular Weight	225.29 g/mol
Synonyms	4,5-Dihydro-3,3-dimethyl-5-[(1E)-1-phenylethylidene]-3H-pyrazole-4-carbonitrile; (5E)-4,5-Dihydro-3,3-dimethyl-5-(1-phenylethylidene)-3H-pyrazole-4-carbonitrile; 5-(1-Phenylethylidene)-4,5-dihydro-3,3-dimethyl-3H-pyrazole-4-carbonitrile; 3H-Pyrazole-4-carbonitrile, 4,5-dihydro-3,3-dimethyl-5-(1-phenylethylidene)-, (5E)-; 820245-91-8; 5-(1-Phenylethylidene)-4,5-dihydro-3,3-dimethyl-1H-pyrazole-4-carbonitrile (tautomeric form).
EINECS	Contact for details

Quality Control

Our 3H-Pyrazole-4-Carbonitrile derivative is produced under strict quality management systems. Every 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 each shipment, documenting critical parameters. Our quality commitment aligns with cGMP principles for advanced intermediates, ensuring reliability for your most sensitive R&D and scale-up processes.

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). The compound may be light-sensitive and should be handled under an inert atmosphere for long-term storage to prevent potential degradation. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Water Content (KF)	≤ 0.5%

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