Description

Pentanedioic Acid, 2-Cyano-2-Fluoro-4-Methyl-, 1-Ethyl 5-Methyl Ester (9Ci) is a specialized fluorinated and cyano-substituted diester building block, offering a unique combination of functional groups for advanced synthetic chemistry. Its molecular structure is engineered to serve as a critical intermediate in the development of complex, high-value compounds, particularly in the pharmaceutical and agrochemical sectors. This product is essential for research and development chemists and process engineers seeking to introduce fluorine and nitrile motifs into target molecules, thereby modulating their biological activity, metabolic stability, and physical properties.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders, metabolic diseases, and oncology.
• Agrochemical Research: Used in developing advanced herbicides, fungicides, and insecticides where the fluorine atom enhances lipophilicity and bioavailability.
• Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials and organic light-emitting diodes (OLEDs).
• Polymer Modification: Incorporated as a monomer or cross-linking agent to create specialty polymers with tailored thermal, chemical, or surface properties.
• Chemical Synthesis Building Block: Utilized in multi-step organic synthesis for constructing complex molecular architectures in medicinal and material chemistry.
• Fluorine Chemistry Research: A valuable compound for academic and industrial research exploring new methodologies in fluorination and the effects of fluorine substitution.

Basic Information

Product Name	Pentanedioic Acid, 2-Cyano-2-Fluoro-4-Methyl-, 1-Ethyl 5-Methyl Ester (9Ci)
CAS No.	90428-58-3
Molecular Formula	C10H14FNO4
Molecular Weight	231.22 g/mol
Synonyms	2-Cyano-2-fluoro-4-methylpentanedioic acid 1-ethyl 5-methyl ester; 1-Ethyl 5-methyl 2-cyano-2-fluoro-4-methylpentanedioate; Ethyl methyl 2-cyano-2-fluoro-4-methylglutarate; 2-Fluoro-2-cyano-4-methylglutaric acid ethyl methyl ester; Fluorocyano glutaric acid ester; 90428-58-3; (9CI) identifier
EINECS	Contact for details

Quality Control

Our Pentanedioic Acid, 2-Cyano-2-Fluoro-4-Methyl-, 1-Ethyl 5-Methyl Ester is produced under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation and NMR for structural verification, to ensure it meets exacting standards for research and process chemistry. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to guarantee traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). This compound is stable under inert atmosphere but should be kept away from strong bases and incompatible materials. Keep container tightly sealed when not in use to minimize exposure to moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Specific Impurities (HPLC)	Individual ≤ 1.0%

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