Description

tert-Butyl 3-Cyanobenzoate is a versatile organic building block and ester derivative of 3-cyanobenzoic acid. This compound is valued for its role as a key synthetic intermediate in the production of complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists for constructing active pharmaceutical ingredients (APIs) and fine chemicals. The tert-butyl ester group offers strategic advantages in multi-step synthesis, including enhanced solubility and serving as a protective group.

Application

• Pharmaceutical Intermediate: A crucial building block in the synthesis of novel drug candidates, especially those containing a benzoate or cyanophenyl moiety.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides, herbicides, and plant growth regulators.
• Liquid Crystal & OLED Material Precursor: Serves as a starting material for creating specialized organic compounds used in electronic displays and optoelectronic devices.
• Polymer & Resin Modifier: Can be incorporated into polymer chains to modify thermal stability, solubility, or other physical properties.
• Organic Synthesis Reagent: Employed in academic and industrial laboratories for constructing complex organic frameworks via coupling reactions and functional group transformations.
• Chemical Research & Development: A valuable tool for medicinal chemistry, process chemistry, and exploring new synthetic methodologies.

Basic Information

Product Name	tert-Butyl 3-Cyanobenzoate
CAS No.	383185-76-0
Molecular Formula	C12H13NO2
Molecular Weight	203.24 g/mol
Synonyms	3-Cyanobenzoic acid tert-butyl ester; Benzoic acid, 3-cyano-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl 3-cyanobenzoate; tert-Butyl m-cyanobenzoate; 3-(tert-Butoxycarbonyl)benzonitrile; m-Cyanobenzoic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Cyanobenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all relevant specifications. Our commitment to quality ensures reliable performance for your critical research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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