Description

Methyl 3,5-Bis(2-Cyanopropan-2-Yl)Benzoate is a specialized organic compound featuring a benzoate ester core flanked by two tertiary nitrile-functionalized alkyl groups. This unique molecular architecture makes it a valuable intermediate for synthesizing advanced polymers, pharmaceuticals, and agrochemicals. It is primarily sought by R&D chemists and process engineers in the fine chemical, pharmaceutical, and advanced material sectors for constructing complex molecules with specific steric and electronic properties.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly those requiring sterically hindered, functionalized aromatic systems.
• Polymer Chemistry: Used as a monomer or cross-linking agent in the production of high-performance resins, specialty polyesters, and engineering plastics with enhanced thermal and chemical resistance.
• Agrochemical Synthesis: Acts as a precursor for developing novel herbicides, fungicides, and plant growth regulators that benefit from its specific substitution pattern.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalysis, leveraging the nitrile and ester functionalities for metal coordination.
• Material Science Research: Utilized in the development of organic electronic materials, such as components for OLEDs or photoresists, due to its modifiable aromatic core.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects and scale-up processes in fine chemical manufacturing.

Basic Information

Product Name	Methyl 3,5-Bis(2-Cyanopropan-2-Yl)Benzoate
CAS No.	871116-81-3
Molecular Formula	C17H20N2O2
Molecular Weight	284.36 g/mol
Synonyms	Methyl 3,5-Bis(2-Cyano-2-propyl)Benzoate; Benzoic Acid, 3,5-Bis(2-Cyano-2-propyl)-, Methyl Ester; 3,5-Bis(2-Cyano-2-propyl)Benzoic Acid Methyl Ester; Methyl 3,5-Di(2-Cyanopropan-2-yl)Benzoate; 2-Cyano-2-propylbenzoate Derivative; 871116-81-3; Tertiary Nitrile Benzoate Ester
EINECS	Contact for details

Quality Control

Our production of Methyl 3,5-Bis(2-Cyanopropan-2-Yl)Benzoate adheres to stringent quality management protocols. Each batch is analytically verified to meet precise customer specifications, with purity typically exceeding 97% (by HPLC). Certificates of Analysis (COA) detailing identity, assay, and impurity profiles are provided with every shipment, ensuring full traceability and compliance with cGMP guidelines where applicable.

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 bases and incompatible materials such as strong oxidizing agents. The compound is light-sensitive and should be handled accordingly to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Maximum Impurity (HPLC)	≤ 1.0%

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