Description

Ethanone, 1-(4,5-Dimethyl-1,4-Cyclohexadien-1-Yl)-2,2,2-Trifluoro- (9Ci) is a specialized trifluoromethyl ketone derivative, a high-value intermediate prized for its unique structural motif that combines a cyclohexadiene ring with a reactive carbonyl group. This compound matters for its role in advanced organic synthesis, particularly in constructing complex molecules where the trifluoroacetyl group and the diene system offer distinct reactivity and electronic properties. It is primarily needed by research chemists and process development teams in the pharmaceutical and agrochemical industries for use in medicinal chemistry, fluorinated compound synthesis, and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, especially those requiring fluorinated moieties for enhanced metabolic stability and bioavailability.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the trifluoromethyl group can improve lipophilicity and biological activity.
• Advanced Material Science: Acts as a precursor for specialty polymers or liquid crystals that incorporate fluorinated aromatic systems for specific thermal or optical properties.
• Organic Synthesis Reagent: Employed in Diels-Alder reactions and other cycloadditions, leveraging its conjugated diene structure to create complex polycyclic frameworks.
• Fluorine Chemistry Studies: A valuable compound for academic and industrial research focused on understanding and exploiting the unique effects of fluorine atoms in organic molecules.

Basic Information

Product Name	Ethanone, 1-(4,5-Dimethyl-1,4-cyclohexadien-1-yl)-2,2,2-trifluoro- (9Ci)
CAS No.	329915-26-6
Molecular Formula	C10H11F3O
Molecular Weight	204.19 g/mol
Synonyms	1-(4,5-Dimethyl-1,4-cyclohexadien-1-yl)-2,2,2-trifluoroethanone; 2,2,2-Trifluoro-1-(4,5-dimethyl-1,4-cyclohexadien-1-yl)ethanone; 1-(4,5-Dimethyl-1,4-cyclohexadienyl)-2,2,2-trifluoroethanone; Trifluoro(4,5-dimethyl-1,4-cyclohexadien-1-yl)methanone; 329915-26-6; 4,5-Dimethyl-1-(trifluoroacetyl)-1,4-cyclohexadiene
EINECS	Contact for details

Quality Control

Our Ethanone, 1-(4,5-Dimethyl-1,4-Cyclohexadien-1-Yl)-2,2,2-Trifluoro- (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with key parameters including assay (by HPLC or GC), identity confirmation (by IR and NMR), and impurity profiles. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliable performance in your critical synthesis workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). This compound should be kept under an inert atmosphere if long-term storage is required to prevent potential degradation. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Assay (HPLC/GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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