Description

Benzonitrile, 4-(1,1-Dimethylethyl)-2-Ethoxy- (9Ci) is a specialized substituted benzonitrile derivative, serving as a valuable synthetic intermediate in advanced organic chemistry. Its molecular structure, featuring both tert-butyl and ethoxy substituents, makes it a key building block for constructing complex molecules with tailored properties. This compound is primarily utilized by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or possessing specific receptor-binding profiles.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, where the substituted benzonitrile core can contribute to biological activity.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of organic semiconductors, liquid crystals, or advanced polymers requiring specific aromatic nitrile functionalities.
• Chemical Research & Development: A versatile building block for academic and industrial R&D focused on heterocyclic chemistry and the development of new synthetic methodologies.

Basic Information

Product Name	Benzonitrile, 4-(1,1-Dimethylethyl)-2-Ethoxy- (9Ci)
CAS No.	168036-27-9
Molecular Formula	C13H17NO
Molecular Weight	203.28 g/mol
Synonyms	4-tert-Butyl-2-ethoxybenzonitrile; 2-Ethoxy-4-tert-butylbenzonitrile; 4-(tert-Butyl)-2-ethoxybenzonitrile; 2-Ethoxy-4-(1,1-dimethylethyl)benzonitrile; p-tert-Butyl-o-ethoxybenzonitrile; Benzonitrile, 2-ethoxy-4-(1,1-dimethylethyl)-; 168036-27-9
EINECS	Contact for details

Quality Control

Our Benzonitrile, 4-(1,1-Dimethylethyl)-2-Ethoxy- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistent performance as a research-grade intermediate. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming identity, purity, and conformity to agreed specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure containers are kept tightly sealed to prevent absorption of atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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