Understanding the fundamental chemical properties and synthesis pathways of key intermediates is crucial for chemists aiming to optimize their synthetic strategies. 5-Hexynoic Acid, identified by CAS number 53293-00-8, is a prime example of such a compound, widely recognized for its utility in organic synthesis. Its molecular structure, featuring both a terminal alkyne and a carboxylic acid group, endows it with unique reactivity and makes it an indispensable tool for creating complex molecular architectures. For those looking to buy this compound, knowledge of its chemistry is paramount.

The molecular formula of 5-Hexynoic Acid is C6H8O2, with a molecular weight of 112.13 g/mol. Its IUPAC name is hex-5-ynoic acid, and it is also known by other names such as 4-ethynylbutyric acid. The compound typically appears as a yellow liquid with a boiling point around 224-225 °C. Its density is approximately 1.016 g/mL at 25 °C, and it is miscible with water. These physical and chemical properties are critical considerations for chemists when designing reaction conditions, storage protocols, and handling procedures.

The synthesis of 5-Hexynoic Acid can be achieved through various routes, often involving the functionalization of simpler organic precursors. One common approach involves the reaction of a suitable haloalkane with an acetylide, followed by oxidation or hydrolysis to form the carboxylic acid. For instance, the coupling of propargyl bromide with a malonic ester derivative, followed by decarboxylation and hydrolysis, can yield 5-Hexynoic Acid. Manufacturers often employ optimized, large-scale synthesis protocols to ensure high yields and purity.

The reactivity of 5-Hexynoic Acid stems from its two functional groups. The terminal alkyne can undergo a myriad of reactions, including:

  • Click Chemistry: Copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) to form triazoles.
  • Coupling Reactions: Sonogashira coupling with aryl or vinyl halides.
  • Hydration/Addition Reactions: Markovnikov or anti-Markovnikov addition across the triple bond.

The carboxylic acid group allows for typical acid reactions:

  • Esterification: Reaction with alcohols to form esters.
  • Amidation: Reaction with amines to form amides.
  • Reduction: Conversion to the corresponding alcohol.

For researchers and manufacturers looking to procure 5-Hexynoic Acid, understanding these chemical properties is essential for its effective utilization. Sourcing from a reliable manufacturer or supplier in China, such as NINGBO INNO PHARMCHEM CO.,LTD., ensures access to high-purity material at competitive prices. Whether for pharmaceutical intermediates or advanced material synthesis, a dependable source is key to successful chemical endeavors. When you purchase this compound, ensure you receive the necessary technical specifications to confirm its suitability for your specific application.