Description

Benzenepropanenitrile, α-Amino-4-Chloro-β-Oxo- is a specialized organic nitrile building block featuring a unique combination of amino, chloro, and oxo functional groups. This compound is of significant value in advanced organic synthesis, particularly for constructing complex molecular architectures in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical intermediate, and advanced material sectors.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders or possessing specific receptor binding profiles.
• Agrochemical Research: Serves as a versatile scaffold for developing new herbicides, fungicides, or plant growth regulators due to its reactive functional handles.
• Ligand and Catalyst Development: Used in the preparation of specialized ligands for asymmetric catalysis or metal-organic frameworks (MOFs).
• Peptidomimetic Chemistry: The α-amino nitrile moiety makes it a valuable building block for creating non-natural amino acid analogs and peptide mimetics.
• Heterocyclic Compound Synthesis: Employed in cyclization reactions to access important nitrogen-containing heterocycles like pyridines, pyrimidines, and indoles.
• Material Science Precursor: Potential use in the synthesis of organic semiconductors or specialty polymers with tailored electronic properties.

Basic Information

Product Name	Benzenepropanenitrile, α-Amino-4-Chloro-β-Oxo-
CAS No.	747357-67-1
Molecular Formula	C9H7ClN2O
Molecular Weight	194.62 g/mol
Synonyms	4-Chloro-α-amino-β-oxobenzenepropanenitrile; 2-Amino-3-(4-chlorophenyl)-3-oxopropanenitrile; (4-Chlorophenyl)(cyanoacetyl)amine; 3-Amino-2-(4-chlorobenzoyl)acrylonitrile; α-Amino-4-chloro-β-oxohydrocinnamontrile; 4-Chloro-α-aminobenzoylacetonitrile; 2-Amino-3-(4-chlorophenyl)-3-oxopropionitrile
EINECS	Contact for details

Quality Control

Our Benzenepropanenitrile, α-Amino-4-Chloro-β-Oxo- is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) with detailed chromatographic data are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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