Description

Benzoic Acid, 4-Cyano-, 1,1-Dimethylethyl Ester is a specialized organic ester derivative of benzoic acid, characterized by the presence of a cyano group and a tert-butyl ester moiety. This compound serves as a valuable chemical intermediate and building block in advanced organic synthesis, offering a unique combination of steric bulk and reactivity. It is primarily required by pharmaceutical, agrochemical, and specialty chemical industries for the research and development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Used in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring a sterically hindered benzoate or cyanobenzene core structure.
• Agrochemical Synthesis: Serves as a key precursor in the development of herbicides, fungicides, and plant growth regulators.
• Liquid Crystal & OLED Material Production: Acts as a building block for advanced electronic materials due to its aromatic and polarizable cyano group.
• Polymer Modification: Employed to introduce functional groups into polymer chains to alter physical properties like solubility and thermal stability.
• Organic Synthesis Reagent: Utilized in academic and industrial R&D labs for constructing complex molecules, including natural product analogs.
• Photoinitiator & UV Stabilizer Component: Investigated for use in formulations for coatings, inks, and plastics that require specific light-absorbing properties.

Basic Information

Item	Detail
Product Name	Benzoic Acid, 4-Cyano-, 1,1-Dimethylethyl Ester
CAS No.	55696-50-9
Molecular Formula	C13H15NO2
Molecular Weight	217.26 g/mol
Synonyms	4-Cyanobenzoic acid tert-butyl ester; tert-Butyl 4-cyanobenzoate; p-Cyanobenzoic acid tert-butyl ester; 1,1-Dimethylethyl 4-cyanobenzoate; Benzoic acid, 4-cyano-, 1,1-dimethylethyl ester; 4-Cyano-tert-butylbenzoate; tert-Butyl p-cyanobenzoate; 4-CN-Bz-OtBu
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-Cyano-, 1,1-Dimethylethyl Ester is produced under a strict quality management system. Every batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, which includes data from HPLC, GC, NMR, and other relevant techniques. Our quality commitment aligns with cGMP and ISO 9001 principles where applicable, ensuring reliability for your critical synthesis processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition. The compound may be light-sensitive; prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 20 ppm
Residual Solvents (GC)	Meets ICH guidelines

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