Description

Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-(Phenylmethoxy)- is a specialized aromatic nitrile derivative, serving as a high-value advanced pharmaceutical intermediate (API) and a versatile organic synthesis building block. Its molecular structure, featuring a tert-butyl group and a benzyloxy substituent, makes it a critical precursor for constructing complex molecules in medicinal chemistry. This compound is essential for R&D and production teams in the pharmaceutical and fine chemical industries seeking to develop new active ingredients and specialty materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly in central nervous system (CNS) and cardiovascular therapeutic areas.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, leveraging its aromatic backbone for bioactivity.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the development of organic semiconductors, liquid crystals, and other functional polymeric materials.
• Chemical Research & Development: A versatile reagent for constructing complex heterocyclic compounds and exploring new organic reaction pathways.

Basic Information

Product Name	Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-(Phenylmethoxy)-
CAS No.	1246213-26-2
Molecular Formula	C19H21NO
Molecular Weight	279.38 g/mol
Synonyms	2-(Benzyloxy)-5-tert-butylbenzyl cyanide; 5-tert-Butyl-2-(benzyloxy)benzeneacetonitrile; 2-(Benzyloxy)-5-(tert-butyl)phenylacetonitrile; 5-(tert-Butyl)-2-(phenylmethoxy)benzeneacetonitrile; (5-tert-Butyl-2-benzyloxyphenyl)acetonitrile; 2-(5-tert-Butyl-2-benzyloxyphenyl)acetonitrile; 5-tert-Butyl-2-benzyloxybenzyl cyanide; 2-(Benzyloxy)-5-(1,1-dimethylethyl)benzeneacetonitrile
EINECS	Contact for details

Quality Control

Our Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-(Phenylmethoxy)- is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and batch-to-batch consistency suitable for research and cGMP manufacturing. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance protocols.

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). Keep away from heat, sparks, and open flame. This material is moisture-sensitive; ensure containers are kept tightly sealed to prevent exposure to atmospheric humidity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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