Description

3-(3-Oxobutyl)-1H-Indole-5-Carbonitrile is a versatile indole-based organic compound featuring both a nitrile and a ketone functional group, making it a valuable synthetic intermediate. Its molecular structure is critical for constructing complex heterocyclic frameworks used in advanced material science and pharmaceutical research. This high-purity building block is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to develop novel active compounds.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators due to its bioactive indole scaffold.
• Material Science: Acts as a monomer or functional additive in the research of advanced polymers and organic electronic materials.
• Chemical Synthesis: Employed in academic and industrial laboratories for constructing complex heterocycles and exploring new organic reactions.
• Bioconjugation & Probe Development: Utilized in the creation of fluorescent probes or biochemical tools where the indole and ketone groups offer conjugation sites.

Basic Information

Product Name	3-(3-Oxobutyl)-1H-Indole-5-Carbonitrile
CAS No.	505062-51-1
Molecular Formula	C₁₃H₁₂N₂O
Molecular Weight	212.25 g/mol
Synonyms	5-Cyano-3-(3-oxobutyl)indole; 1H-Indole-5-carbonitrile, 3-(3-oxobutyl)-; 3-(3-Oxobutyl)-1H-indole-5-carbonitrile; 3-Acetonyl-5-cyanoindole; 5-Cyano-3-acetonylindole; 3-(1H-Indol-3-yl)-4-oxobutanenitrile
EINECS	Contact for details

Quality Control

Our 3-(3-Oxobutyl)-1H-Indole-5-Carbonitrile is manufactured under a strict quality management system. 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, confirming compliance with customer specifications and industry best practices for fine chemical intermediates.

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 away from strong oxidizing agents and bases. For long-term storage, consider an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
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.