Description

5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-4'-Trifluoromethylvalerophenone CAS NO 898786-71-5 is a high-purity, advanced pharmaceutical intermediate characterized by its unique dioxane and trifluoromethyl functional groups. This compound is critical for the synthesis of complex active pharmaceutical ingredients (APIs), offering a strategic building block for medicinal chemistry research and development. It is primarily sought after by R&D laboratories and manufacturers in the pharmaceutical and agrochemical sectors for creating novel compounds with enhanced biological activity and metabolic stability.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology.
• Agrochemical Research: Used in the development of new-generation pesticides and herbicides, where the trifluoromethyl group can improve lipophilicity and biological activity.
• Medicinal Chemistry: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Chemical Synthesis: Employed in organic synthesis for the construction of complex molecules containing protected diol functionalities via its dioxane moiety.
• Fluorine Chemistry: Acts as a valuable substrate for studying the effects of fluorine substitution on the pharmacokinetic properties of potential drug molecules.

Basic Information

Product Name	5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-4'-Trifluoromethylvalerophenone
CAS No.	898786-71-5
Molecular Formula	C18H23F3O3
Molecular Weight	344.37 g/mol
Synonyms	4'-Trifluoromethyl-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone; 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-one; 898786-71-5; Valerophenone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4'-(trifluoromethyl)-; 1-[4-(Trifluoromethyl)phenyl]-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one
EINECS	Contact for details

Quality Control

Our 5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-4'-Trifluoromethylvalerophenone is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliable supply for your most demanding R&D and scale-up projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (typically 15-25°C). The 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	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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