Description

4-Oxo-4-(3-Pyridyl)-Butylisothiocyanate is a specialized organic building block featuring a pyridine ring, a ketone group, and a reactive isothiocyanate moiety. This unique molecular architecture makes it a valuable intermediate for synthesizing more complex heterocyclic compounds and functional materials. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel active ingredients and ligands.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting neurological or oncological pathways.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its heterocyclic structure for bioactivity.
• Chemical Biology Probe Synthesis: The reactive isothiocyanate group allows for conjugation to biomolecules, useful in creating probes for enzyme inhibition studies or cellular imaging.
• Ligand and Catalyst Development: Serves as a building block for constructing complex chelating ligands used in catalysis and material science.
• Heterocyclic Chemistry Research: A versatile substrate for constructing fused or functionalized pyridine and thiourea derivatives in academic and industrial R&D.
• Material Science Precursor: Potential use in the synthesis of organic semiconductors or functional polymers due to its conjugated system.

Basic Information

Product Name	4-Oxo-4-(3-Pyridyl)-Butylisothiocyanate
CAS No.	123529-37-3
Molecular Formula	C10H10N2OS
Molecular Weight	206.26 g/mol
Synonyms	4-(3-Pyridinyl)-4-oxobutyl isothiocyanate; 4-Oxo-4-(pyridin-3-yl)butyl isothiocyanate; 3-Pyridinebutanamide, N-(isothiocyanato)-, γ-oxo-; 4-(Pyridin-3-yl)-4-oxobutyl isothiocyanate; 4-(3-Pyridyl)-4-oxobutyl isothiocyanate; 4-Oxo-4-(3-pyridinyl)butyl isothiocyanate; Butylisothiocyanate, 4-oxo-4-(3-pyridyl)-
EINECS	Contact for details

Quality Control

Our 4-Oxo-4-(3-Pyridyl)-Butylisothiocyanate is produced under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

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 nature, the container must be kept tightly sealed after opening to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 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.