Description

Isovaline, n-Acetyl-3-Oxo-, Methyl Ester CAS NO 171817-09-7 is a specialized chiral intermediate and building block of significant interest in advanced organic synthesis. Its unique structure, featuring both an acetylated amino acid derivative and a keto-ester moiety, makes it a valuable precursor for constructing complex molecules with specific stereochemistry. This compound is primarily utilized by research institutions and pharmaceutical development teams engaged in the synthesis of novel peptides, peptidomimetics, and other bioactive compounds. Its role is critical in exploring new chemical spaces for drug discovery and material science applications.

Application

• Pharmaceutical Intermediate: A key chiral building block in the research and development of new active pharmaceutical ingredients (APIs), particularly for peptide-based therapeutics.
• Peptidomimetic Synthesis: Used to create non-natural amino acid analogs that mimic the structure and function of peptides, enhancing metabolic stability and bioavailability in drug candidates.
• Bioconjugation Chemistry: Serves as a functional handle for linking molecules (e.g., drugs, dyes, or polymers) to biomolecules like proteins or antibodies.
• Asymmetric Synthesis: Employed as a starting material or intermediate in catalytic asymmetric reactions to introduce stereogenic centers.
• Medicinal Chemistry Research: Utilized in structure-activity relationship (SAR) studies to modify and optimize the properties of lead compounds.
• Chemical Biology Probes: Acts as a component in the design of molecular probes for studying enzyme mechanisms or protein-protein interactions.

Basic Information

Product Name	Isovaline, n-Acetyl-3-Oxo-, Methyl Ester
CAS No.	171817-09-7
Molecular Formula	C8H13NO4
Molecular Weight	187.19 g/mol
Synonyms	Methyl 2-acetamido-3-oxobutanoate; 2-Acetamido-3-oxobutanoic acid methyl ester; Acetyl-3-oxo-isovaline methyl ester; 3-Oxo-2-(acetylamino)butanoic acid methyl ester; (R,S)-2-Acetamido-3-oxobutanoic acid methyl ester; Methyl acetylamino-3-oxobutyrate; α-Acetamido-β-ketobutyric acid methyl ester
EINECS	Contact for details

Quality Control

Our Isovaline, n-Acetyl-3-Oxo-, Methyl Ester is produced under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment, chiral analysis to confirm stereochemical integrity, and identity confirmation via IR and NMR spectroscopy. We provide a detailed Certificate of Analysis (COA) with every shipment, ensuring traceability and compliance with your research or development specifications. Our commitment is to deliver high-purity, consistent material to support critical R&D workflows.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent absorption of atmospheric moisture, which may affect stability and performance. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity	Contact for details
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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