Description

5-Methyl-3-Nitromethyl-Hexanoic Acid, Ethyl Ester is a specialized organic ester compound with a nitromethyl functional group, serving as a valuable chiral intermediate in advanced synthetic chemistry. Its primary commercial value lies in enabling the efficient, stereoselective construction of complex pharmaceutical molecules, particularly those targeting cardiovascular and central nervous system disorders. This high-purity intermediate is essential for research and development laboratories and production facilities in the pharmaceutical and agrochemical sectors seeking to streamline their synthesis of active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of enantiomerically pure drugs, including angiotensin-converting enzyme (ACE) inhibitors and other cardiovascular agents.
• Agrochemical Synthesis: Used in the research and production of advanced, optically active pesticides and herbicides.
• Fine Chemical Production: Employed in the manufacture of complex fragrance compounds, flavors, and other specialty chemicals requiring specific stereochemistry.
• Academic & Industrial Research: Serves as a critical reagent in methodological development for asymmetric synthesis and catalysis studies.
• Process Chemistry: Utilized in scale-up and optimization of synthetic routes for new chemical entities (NCEs) in pilot plants and commercial manufacturing.

Basic Information

Product Name	5-Methyl-3-Nitromethyl-Hexanoic Acid, Ethyl Ester
CAS No.	128013-65-0
Molecular Formula	C11H21NO4
Molecular Weight	231.29 g/mol
Synonyms	Ethyl 5-Methyl-3-nitromethylhexanoate; 3-(Nitromethyl)-5-methylhexanoic Acid Ethyl Ester; Hexanoic acid, 5-methyl-3-(nitromethyl)-, ethyl ester; (R/S)-Ethyl 5-methyl-3-nitromethylhexanoate; 5-Methyl-3-nitromethylcaproic acid ethyl ester
EINECS	Contact for details

Quality Control

Our production of 5-Methyl-3-Nitromethyl-Hexanoic Acid, Ethyl Ester adheres to stringent quality management systems, ensuring batch-to-batch consistency and high chemical purity suitable for demanding synthetic applications. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as chiral purity, chemical assay, and impurity profiles. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, and we support customer audits and regulatory submissions.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The container should be kept tightly sealed in a dry environment to minimize moisture absorption.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee (Enantiomer Specific)
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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