Description

Methyl 3-(1-Cyano-2-Ethoxy-2-Oxoethyl)-4-Nitrobenzoate is a high-purity, specialized organic intermediate of significant importance in advanced chemical synthesis. Its molecular structure, featuring both cyano and nitro functional groups, makes it a valuable precursor for constructing complex heterocyclic compounds and active pharmaceutical ingredients (APIs). This compound is essential for research and development chemists, process engineers, and manufacturers in the pharmaceutical, agrochemical, and fine chemical industries seeking to develop novel molecules with targeted biological activity.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those with potential anti-inflammatory, antimicrobial, or anticancer properties.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides, herbicides, and fungicides due to its reactive nitro and cyano groups.
• Fine Chemical Production: Serves as a precursor for dyes, pigments, and other specialty chemicals requiring complex aromatic structures.
• Heterocyclic Chemistry: Employed in the construction of pyridine, pyrimidine, and other nitrogen-containing heterocycles, which are core structures in many bioactive compounds.
• Academic & Industrial R&D: A valuable reagent for method development and exploring new synthetic pathways in organic chemistry laboratories.
• Material Science Research: Potential use as a monomer or precursor in the development of advanced polymers and functional materials.

Basic Information

Product Name	Methyl 3-(1-Cyano-2-Ethoxy-2-Oxoethyl)-4-Nitrobenzoate
CAS No.	521286-72-6
Molecular Formula	C₁₃H₁₂N₂O₆
Molecular Weight	292.25 g/mol
Synonyms	4-Nitro-3-(1-cyano-2-ethoxy-2-oxoethyl)benzoic acid methyl ester; Methyl 4-nitro-3-(1-cyano-2-ethoxy-2-oxoethyl)benzoate; 3-(1-Cyano-2-ethoxy-2-oxoethyl)-4-nitrobenzoic acid methyl ester; 2-(2-Ethoxy-2-oxo-1-cyanoethyl)-4-nitrobenzoic acid methyl ester; Benzoic acid, 3-(1-cyano-2-ethoxy-2-oxoethyl)-4-nitro-, methyl ester; Methyl α-cyano-α-(4-nitro-m-toluoyl)acetate ethyl ether; Ethyl (1-cyano-2-(4-nitro-3-(methoxycarbonyl)phenyl)-2-oxoethyl)carbamate precursor
EINECS	Contact for details

Quality Control

Our production of Methyl 3-(1-Cyano-2-Ethoxy-2-Oxoethyl)-4-Nitrobenzoate adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. The material is subjected to rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to confirm identity, potency, and impurity profiles. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We support cGMP compliance for pharmaceutical applications and can tailor purity grades to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The compound may be moisture-sensitive; keep the container tightly sealed in a dry environment. Keep away from heat, sparks, open flames, and incompatible materials such as strong oxidizing agents, strong bases, and strong reducing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0% (Area %)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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