Description

4-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylbutyrophenone 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 versatile building block for medicinal chemistry research and development. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries seeking to introduce specific structural motifs into novel molecules.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the trifluoromethyl group can enhance biological activity and environmental stability.
• Medicinal Chemistry: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Process Chemistry: Employed in route scouting and scale-up studies for the efficient and cost-effective production of target APIs.
• Custom Synthesis: A starting material for contract research and manufacturing organizations (CROs/CMOs) producing specialized fine chemicals for clients.
• Academic Research: Used in university and institutional labs for investigating new organic reactions and synthesizing complex molecular architectures.

Basic Information

Product Name	4-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylbutyrophenone
CAS No.	898786-63-5
Molecular Formula	C₁₇H₂₁F₃O₃
Molecular Weight	330.35 g/mol
Synonyms	3'-Trifluoromethyl-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone; 1-[3-(Trifluoromethyl)phenyl]-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one; 4-(5,5-Dimethyl-2-dioxanyl)-3'-(trifluoromethyl)butyrophenone; Butyrophenone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-(trifluoromethyl)-; CAS 898786-63-5
EINECS	Contact for details

Quality Control

Our 4-(5,5-Dimethyl-1,3-Dioxan-2-Yl)-3'-Trifluoromethylbutyrophenone is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specification results. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliability for your critical R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
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.