Description

Benzeneacetonitrile, α-Hydroxy-4-(1-Methylethyl)-, (Alphas)- (9Ci) is a specialized chiral intermediate featuring a hydroxy-substituted acetonitrile moiety attached to a cumene-derived aromatic ring. This compound matters for its role as a key building block in the synthesis of complex, optically active molecules, offering a versatile handle for further chemical elaboration. It is primarily needed by research and development chemists and process scale-up teams in the pharmaceutical and agrochemical industries, where it serves as a precursor for active ingredients and fine chemicals. The product is supplied with a high level of purity and batch-to-batch consistency to support critical synthetic pathways.

Application

• Pharmaceutical Intermediate: A crucial chiral synthon for the research and production of active pharmaceutical ingredients (APIs), particularly in routes requiring stereochemical control.
• Agrochemical Synthesis: Used in the development and manufacturing of advanced herbicides, fungicides, and insecticides where specific stereochemistry impacts biological activity.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing novel chiral ligands and organocatalysts used in asymmetric synthesis.
• Fine Chemical Production: Employed in the multistep synthesis of complex fragrance compounds, flavors, and other high-value specialty chemicals.
• Academic and Industrial R&D: A valuable reagent for methodological development in organic chemistry, exploring new reactions and synthetic transformations.

Basic Information

Product Name	Benzeneacetonitrile, α-Hydroxy-4-(1-Methylethyl)-, (Alphas)- (9Ci)
CAS No.	178357-23-8
Molecular Formula	C11H13NO
Molecular Weight	175.23 g/mol
Synonyms	(αS)-α-Hydroxy-4-isopropylbenzeneacetonitrile; (S)-2-Hydroxy-2-(4-isopropylphenyl)acetonitrile; α-Hydroxy-4-isopropylbenzeneacetonitrile, (S)-; 2-(4-Isopropylphenyl)-2-hydroxyacetonitrile; (S)-2-Hydroxy-2-(4-propan-2-ylphenyl)acetonitrile; (S)-α-Hydroxy-p-isopropylphenylacetonitrile; (S)-Cumeneacetonitrile, α-hydroxy-
EINECS	Contact for details

Quality Control

Our production of Benzeneacetonitrile, α-Hydroxy-4-(1-Methylethyl)-, (Alphas)- (9Ci) adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including chiral purity assessment by HPLC, to ensure it meets the exacting standards required for advanced synthetic applications. Certificates of Analysis (COA) detailing identity, purity, enantiomeric excess, and impurity profiles are provided to guarantee traceability and support your regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area. Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and potential degradation. Recommended long-term storage temperature is 2-8°C.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 10 ppm
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.