For professionals in organic chemistry and chemical manufacturing, understanding the fundamental properties and synthesis of key intermediates like Methyl 4-cyanobenzoate (CAS: 1129-35-7) is vital for successful project execution. This compound, known for its versatility, plays a significant role across multiple industrial sectors.

Chemical Identity and Physical Properties

Methyl 4-cyanobenzoate, also recognized as 4-Cyanobenzoic acid methyl ester or 4-(methoxycarbonyl)benzonitrile, possesses the molecular formula C9H7NO2 and a molecular weight of approximately 161.16 g/mol. It typically presents as a White to off-white Crystalline Powder. Key physical parameters include:

  • CAS Number: 1129-35-7
  • EINECS Number: 214-443-4
  • Melting Point: 65-67°C (lit.)
  • Boiling Point: 142-144°C at 12 mmHg (lit.)
  • Density: Around 1.18 g/cm³
  • Purity: Commonly available at 97%+ or 98%+ purity levels.

Its solubility characteristics are also noteworthy; it is generally insoluble in water but soluble in common organic solvents like chloroform and ethyl acetate, making it adaptable to various reaction media.

Synthesis Pathways for Methyl 4-cyanobenzoate

The preparation of Methyl 4-cyanobenzoate can be achieved through several established synthetic routes. A common method involves the esterification of 4-cyanobenzoic acid with methanol, often catalyzed by an acid. For instance, reacting m-cyanobenzamide with methanol in the presence of a hydrochloric acid/methanol solution under controlled heating can yield Methyl 4-cyanobenzoate with good efficiency. Other pathways might utilize 1,4-dicyanobenzene or reactions involving specific precursor molecules. Understanding these synthesis routes helps in assessing the quality and potential impurities from different manufacturing processes. When sourcing this chemical, inquiring about the specific synthesis method from the manufacturer can provide valuable insights into its suitability for your application.

Industrial Significance and Applications

The utility of Methyl 4-cyanobenzoate extends across several critical industries:

  • Organic Synthesis: It serves as a fundamental building block for creating more complex organic molecules, offering reactive sites through its cyano and ester functional groups.
  • Pharmaceuticals: It is a vital intermediate in the pharmaceutical industry for synthesizing active pharmaceutical ingredients (APIs) and drug candidates. Researchers and manufacturers often buy this compound for its specific role in medicinal chemistry pathways.
  • Agrochemicals: Its structure is leveraged in the synthesis of pesticides and herbicides, contributing to the agricultural sector's need for effective crop protection agents.
  • Materials Science: It finds applications as a precursor for liquid crystals and in the development of specialty polymers and optoelectronic materials.

For businesses looking to purchase Methyl 4-cyanobenzoate, partnering with reputable manufacturers and suppliers that provide detailed technical specifications and reliable product information is essential. Ensuring the CAS number 1129-35-7 is correctly identified and that purity standards meet your project’s requirements will guarantee successful outcomes in your chemical endeavors.