Description

3',4'-Difluoro-5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)Valerophenone CAS NO 898786-99-7 is a high-purity, advanced pharmaceutical intermediate featuring a unique difluorophenyl ketone structure protected by a dioxane acetal group. This compound is specifically engineered for its role as a critical building block in the synthesis of complex active pharmaceutical ingredients (APIs), where its structural motifs are essential for imparting desired biological activity and metabolic stability. It is primarily utilized by research institutions and pharmaceutical manufacturers engaged in the development of novel therapeutic agents, particularly within oncology and central nervous system (CNS) drug discovery pipelines.

Application

• Pharmaceutical Intermediate: Serves as a key synthetic precursor in the multi-step production of complex drug candidates and active pharmaceutical ingredients (APIs).
• Drug Discovery & Research: Used in medicinal chemistry for structure-activity relationship (SAR) studies and the development of new chemical entities, especially in fluorinated compound libraries.
• Oncology Therapeutics: Employed in the synthesis of targeted cancer therapies where the difluorophenyl moiety can enhance binding affinity and pharmacokinetic properties.
• CNS Drug Development: Applied in creating compounds designed to cross the blood-brain barrier for treating neurological disorders.
• Process Chemistry & Scale-up: Provides a reliable, high-quality starting material for process optimization and pilot-scale manufacturing under GMP guidelines.
• Custom Synthesis: Acts as a specialized substrate for contract research and manufacturing organizations (CROs/CMOs) producing bespoke compounds for clients.

Basic Information

Product Name	3',4'-Difluoro-5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)Valerophenone
CAS No.	898786-99-7
Molecular Formula	C₁₇H₂₂F₂O₃
Molecular Weight	312.36 g/mol
Synonyms	5-(5,5-Dimethyl-1,3-dioxan-2-yl)-3',4'-difluorovalerophenone; 1-[3,4-Difluorophenyl]-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one; 3',4'-Difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone; Valerophenone, 3',4'-difluoro-5-(5,5-dimethyl-1,3-dioxan-2-yl)-; Difluorophenyl dioxane ketone intermediate
EINECS	Contact for details

Quality Control

Every batch of 3',4'-Difluoro-5-(5,5-Dimethyl-1,3-Dioxan-2-Yl)Valerophenone is manufactured and tested under a strict quality management system. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) are available upon request, detailing purity, identity, and impurity profiles as confirmed by advanced analytical techniques.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents and incompatible materials. For long-term storage, consider an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Any single impurity	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Water Content (KF)	≤ 0.5%

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