Description

Methyl 3-Isocyano-3-(4-Fluorophenyl)Propionate CAS NO 730971-51-4 is a versatile and high-value isocyanide building block used in organic synthesis. This compound is critical for the construction of complex heterocycles and bioactive molecules via multicomponent reactions. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for lead optimization and the synthesis of novel chemical entities.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, particularly in medicinal chemistry programs targeting CNS disorders and oncology.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the fluorophenyl moiety.
• Multicomponent Reaction (MCR) Chemistry: Essential reactant in Passerini and Ugi-type reactions for the efficient, one-pot generation of diverse compound libraries for high-throughput screening.
• Heterocycle Construction: Facilitates the synthesis of complex nitrogen-containing heterocycles like oxazoles, imidazoles, and pyrroles, which are common scaffolds in active pharmaceutical ingredients (APIs).
• Chemical Biology & Proteomics: Serves as a versatile handle for bioconjugation and the development of activity-based probes for studying enzyme function.
• Material Science Research: Investigated as a monomer or precursor for specialty polymers and advanced materials with tailored properties.

Basic Information

Product Name	Methyl 3-Isocyano-3-(4-Fluorophenyl)Propionate
CAS No.	730971-51-4
Molecular Formula	C11H10FNO2
Molecular Weight	207.20 g/mol
Synonyms	Methyl 3-Isocyano-3-(p-Fluorophenyl)Propionate; 3-Isocyano-3-(4-Fluorophenyl)Propionic Acid Methyl Ester; Methyl 3-(4-Fluorophenyl)-3-isocyanopropanoate; 3-(4-Fluorophenyl)-3-isocyanopropanoic Acid Methyl Ester; (4-Fluorophenyl)isocyanoacetic Acid Methyl Ester; Methyl (4-Fluorophenyl)(isocyano)acetate; Isocyanoacetic Acid, (4-Fluorophenyl)-, Methyl Ester
EINECS	Contact for details

Quality Control

Our Methyl 3-Isocyano-3-(4-Fluorophenyl)Propionate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. We provide comprehensive Certificates of Analysis (COA) with each batch, detailing purity, identity, and impurity profiles. Our quality systems are designed to support cGMP and ISO standards for advanced 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). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when possible to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.