Description

Methyl 4-((2,2-Difluoro-3-Oxocyclooctyl)Methyl)Benzoate is a high-purity, advanced pharmaceutical intermediate characterized by its unique difluorinated cyclooctyl ketone structure. This compound is critical for the synthesis of complex active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting novel therapeutic areas. It is primarily sought by research institutions and pharmaceutical manufacturers engaged in the development of new drug candidates, where its specific stereochemistry and functional groups are essential for precise molecular construction.

Application

• Pharmaceutical Intermediate: A key building block in the multi-step synthesis of novel drug candidates, especially in oncology and central nervous system (CNS) therapeutic research.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization processes due to its difluoro and ketone functionalities.
• Process Chemistry Development: Serves as a critical intermediate in scaling up synthetic routes from laboratory to pilot plant and commercial production.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of specialized APIs under cGMP conditions.
• Agrochemical Intermediate: Potential application in the synthesis of advanced, fluorinated agrochemicals requiring specific bioactive scaffolds.
• Academic & Industrial R&D: Utilized in exploratory organic synthesis for developing new fluorination methodologies and complex molecule construction.

Basic Information

Product Name	Methyl 4-((2,2-Difluoro-3-Oxocyclooctyl)Methyl)Benzoate
CAS No.	1047997-34-1
Molecular Formula	C₁₇H₂₀F₂O₃
Molecular Weight	310.34 g/mol
Synonyms	Benzoic acid, 4-[(2,2-difluoro-3-oxocyclooctyl)methyl]-, methyl ester; Methyl 4-[(2,2-difluoro-3-oxocyclooctyl)methyl]benzoate; 4-((2,2-Difluoro-3-oxocyclooctyl)methyl)benzoic acid methyl ester; 1047997-34-1; Methyl p-((2,2-difluoro-3-oxocyclooctyl)methyl)benzoate
EINECS	Contact for details

Quality Control

Our production of Methyl 4-((2,2-Difluoro-3-Oxocyclooyl)Methyl)Benzoate adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity, essential for sensitive pharmaceutical applications. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We operate under a quality management system and can supply material suitable for use in cGMP-compliant synthesis upon request and with appropriate documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). The compound is light-sensitive and should be handled and stored away from strong bases and incompatible organic solvents. Keep the container tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Any single impurity ≤ 0.5%, Total impurities ≤ 1.5%
Residual Solvents (GC)	Complies with 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.