Description

Acetonitrile, (3-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)-, (2E)- (9Ci) is a specialized organic compound featuring a unique quinone-methide-like structure integrated with an acetonitrile moiety. This compound matters as a valuable advanced synthetic intermediate and research chemical for constructing complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for developing novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of complex drug candidates, particularly those requiring functionalized quinone or cyclohexadienone cores.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators that leverage its reactive enone and nitrile functionalities.
• Organic Synthesis Reagent: Acts as a versatile precursor for Diels-Alder reactions, Michael additions, and cyclization processes in academic and industrial research laboratories.
• Material Science Precursor: Investigated for the preparation of specialized organic electronic materials and photoactive compounds due to its conjugated system.
• Chemical Biology Probe: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms and biological pathways.

Basic Information

Item	Details
Product Name	Acetonitrile, (3-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)-, (2E)- (9Ci)
CAS No.	643727-00-8
Molecular Formula	C9H7NO2
Molecular Weight	161.16 g/mol
Synonyms	(2E)-2-(3-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetonitrile; 2-[(3-Hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)]acetonitrile; 4-Hydroxy-3-[(cyanomethylene)-2,5-cyclohexadien-1-one; 3-Hydroxy-4-oxo-2,5-cyclohexadiene-1-ylideneacetonitrile; (E)-2-(3-Hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetonitrile
EINECS	Contact for details

Quality Control

Our Acetonitrile, (3-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)-, (2E)- (9Ci) is produced under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure high purity and consistent performance as a research-grade intermediate. Comprehensive Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided to support your regulatory documentation and R&D integrity.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, handling and storage should minimize exposure to direct or strong artificial light.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.5%

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