Description

5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylvalerophenone is a high-value, specialized organic intermediate featuring a unique dioxane-protected carbonyl group and a trifluoromethyl aromatic moiety. This compound is critical for synthetic chemists requiring precise molecular architecture, offering a versatile building block for constructing complex molecules with enhanced stability and specific electronic properties. It is primarily sought after by R&D and process development teams in the pharmaceutical and advanced materials sectors for applications in medicinal chemistry and functional material synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders or requiring fluorinated motifs for improved metabolic stability and bioavailability.
• Agrochemical Research: Used in the development of new-generation pesticides and herbicides, where the trifluoromethyl group can enhance biological activity and environmental persistence.
• Liquid Crystal & OLED Material Synthesis: Acts as a building block for creating advanced organic electronic materials, where its rigid and fluorinated structure contributes to desired optical and electronic properties.
• Cross-Coupling Reactions: The protected carbonyl and aryl halide (or pseudohalide) functionalities make it a suitable substrate for palladium-catalyzed cross-coupling reactions, such as Suzuki or Heck reactions, to form complex biaryl systems.
• Asymmetric Synthesis: The chiral center(s) present in the dioxane ring can be utilized in the development of chiral ligands or catalysts for enantioselective transformations.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes for studying biological processes, leveraging its potential for further functionalization.

Basic Information

Product Name	5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylvalerophenone
CAS No.	898786-69-1
Molecular Formula	C18H23F3O3
Molecular Weight	344.37 g/mol
Synonyms	1-[3'-(Trifluoromethyl)phenyl]-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one; 3'-Trifluoromethyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone; 5-(5,5-Dimethyl-2-dioxanyl)-3'-(trifluoromethyl)valerophenone; Valerophenone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-(trifluoromethyl)-; CF3-Protected Valerophenone Intermediate; Dioxane-protected trifluoromethyl valerophenone
EINECS	Contact for details

Quality Control

Our production of 5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylvalerophenone adheres to a stringent quality management system to ensure batch-to-batch consistency and high purity for research and scale-up applications. All materials are characterized by advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep the container tightly sealed when not in use to prevent moisture absorption and potential degradation.

Specification

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