CAS 33578-00-6
:2-ethynylbenzoic acid
Description:
2-Ethynylbenzoic acid, with the CAS number 33578-00-6, is an organic compound characterized by its aromatic structure and the presence of both an ethynyl group and a carboxylic acid functional group. It features a benzene ring substituted with an ethynyl group (–C≡CH) at the ortho position relative to the carboxylic acid (–COOH) group. This compound is typically a white to off-white solid and is known for its potential applications in organic synthesis and materials science. The presence of the ethynyl group contributes to its reactivity, allowing for various chemical transformations, including coupling reactions. Additionally, the carboxylic acid group imparts acidic properties, making it soluble in polar solvents. 2-Ethynylbenzoic acid can be used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and functional groups make it a valuable compound in both research and industrial applications.
Formula:C9H6O2
InChI:InChI=1/C9H6O2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H,(H,10,11)
SMILES:C#Cc1ccccc1C(=O)O
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Found 4 products.
2-Ethynylbenzoic acid
CAS:<p>2-Ethynylbenzoic acid</p>Formula:C9H6O2Purity:96%Color and Shape: pale lemon crystalline powderMolecular weight:146.14g/mol2-Ethynylbenzoic acid
CAS:<p>2-Ethynylbenzoic acid is an organic compound with a carboxylic acid functional group. It is an efficient method for the synthesis of amides from primary and secondary alcohols in the presence of a chloride donor, such as thionyl chloride. The reaction system is typically carried out in an organic solvent, such as dichloromethane or chloroform. The reaction mechanism proceeds by protonation of the alkene followed by nucleophilic attack by the amine on the carbonyl carbon atom. This step forms a tetrahedral intermediate that tautomerizes to give a furyl intermediate. The furyl intermediate then undergoes oxidative carbonylation to form 2-ethynylbenzaldehyde, which reacts with the amine to form 2-ethynylbenzoic acid. In this process, stereoselectivity can be achieved by using an acceptor that favors one enantiomer of 2-ethynylbenzaldehyde</p>Formula:C9H6O2Purity:Min. 95%Color and Shape:Yellow solid.Molecular weight:146.14 g/mol
