Description

2,5-Cyclohexadiene-1-Acetonitrile, 1-Acetyl- (9Ci) is a specialized organic intermediate featuring a conjugated diene system functionalized with acetyl and nitrile groups. This unique structure makes it a valuable synthon for constructing complex molecular architectures in advanced chemical synthesis. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in heterocyclic chemistry, ligand synthesis, and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex heterocyclic compounds and potential active pharmaceutical ingredients (APIs).
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging its reactive diene and nitrile functionalities.
• Ligand and Catalyst Synthesis: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and transition metal complexes.
• Material Science Research: Investigated as a monomer or cross-linking agent for the development of polymers with specific electronic or optical properties.
• Fine Chemical Synthesis: Employed in multi-step organic synthesis for the preparation of dyes, flavors, and fragrances.
• Academic & Industrial R&D: A valuable tool for methodological development and exploring new chemical reactions in research laboratories.

Basic Information

Product Name	2,5-Cyclohexadiene-1-Acetonitrile, 1-Acetyl- (9Ci)
CAS No.	41477-89-8
Molecular Formula	C10H11NO
Molecular Weight	161.20 g/mol
Synonyms	1-Acetyl-2,5-cyclohexadiene-1-acetonitrile; 1-Acetyl-1-cyanocyclohexa-2,5-diene; (1-Acetyl-2,5-cyclohexadien-1-yl)acetonitrile; 2-(1-Acetyl-2,5-cyclohexadien-1-yl)acetonitrile; 1-Acetylcyclohexa-2,5-diene-1-acetonitrile; 1-Cyano-1-acetyl-2,5-cyclohexadiene
EINECS	Contact for details

Quality Control

Our 2,5-Cyclohexadiene-1-Acetonitrile, 1-Acetyl- (9Ci) is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity. We provide comprehensive Certificates of Analysis (COA) for each lot, detailing key parameters such as identity, assay, and impurity profiles. Our quality systems are designed to support cGMP requirements for advanced intermediate manufacturing, ensuring traceability and documentation for regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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