Description

Ethanone, 1-(1,3-Benzodioxol-5-Yl)-2,2,2-Trifluoro- (9Ci) is a specialized trifluoromethyl ketone derivative featuring a benzodioxole moiety, making it a valuable fluorinated building block in advanced organic synthesis. This compound is significant for its ability to introduce both the trifluoroacetyl group and the 1,3-benzodioxole structure into target molecules, which can modulate their electronic properties, metabolic stability, and bioavailability. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and intermediates.

Application

• Pharmaceutical Intermediate: A key synthon for the development of new drug candidates, particularly in medicinal chemistry programs targeting CNS disorders, inflammation, and oncology.
• Agrochemical Research: Used in the synthesis of novel herbicides, fungicides, and insecticides, where the fluorine atoms and benzodioxole group can enhance biological activity and environmental persistence.
• Fluorinated Material Precursor: Serves as a building block for advanced materials, such as liquid crystals, organic semiconductors, and specialty polymers requiring specific fluorinated aromatic components.
• Chemical Biology Probe Development: Utilized in creating activity-based probes and inhibitors for studying enzyme mechanisms, leveraging the electrophilic ketone and the fluorinated tag.
• Catalysis & Ligand Synthesis: Acts as a precursor for chiral ligands or catalysts used in asymmetric synthesis, where the rigid benzodioxole structure provides steric control.

Basic Information

Product Name	Ethanone, 1-(1,3-Benzodioxol-5-Yl)-2,2,2-Trifluoro- (9Ci)
CAS No.	102124-73-2
Molecular Formula	C9H5F3O3
Molecular Weight	218.13 g/mol
Synonyms	1-(1,3-Benzodioxol-5-yl)-2,2,2-trifluoroethanone; 2,2,2-Trifluoro-1-(1,3-benzodioxol-5-yl)ethanone; 5-(Trifluoroacetyl)-1,3-benzodioxole; 1,3-Benzodioxole-5-carbaldehyde, trifluoro-; 5-Trifluoroacetyl-1,3-benzodioxole; 1-(Benzo[d][1,3]dioxol-5-yl)-2,2,2-trifluoroethan-1-one
EINECS	Contact for details

Quality Control

Our Ethanone, 1-(1,3-Benzodioxol-5-Yl)-2,2,2-Trifluoro- (9Ci) is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support development and commercial projects requiring material that meets stringent internal standards for pharmaceutical R&D.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong bases and reducing agents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.