CAS 1354705-93-3

4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid

Description:

4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its unique pyrazole structure, which includes an ethynyl group and a carboxylic acid functional group. This compound features a five-membered ring containing two nitrogen atoms, contributing to its heterocyclic nature. The presence of the ethynyl group enhances its reactivity and potential applications in organic synthesis and medicinal chemistry. The carboxylic acid functionality provides acidic properties, allowing for potential interactions in various chemical environments. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various derivatives to be synthesized, which can lead to the exploration of different pharmacological properties. As with many pyrazole derivatives, it may also participate in coordination chemistry, forming complexes with metals. Overall, 4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid is a versatile compound with potential applications in both synthetic and medicinal chemistry.

Formula: C₇H₆N₂O₂

InChI: InChI=1S/C7H6N2O2/c1-3-5-4-9(2)8-6(5)7(10)11/h1,4H,2H3,(H,10,11)

InChI key: InChIKey=PGGPTANNQMAHLS-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(C#C)=CN(C)N1

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 4-ethynyl-1-methyl-
• 4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid

4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid

CAS: 1354705-93-3

4-Ethynyl-1-methyl-1H-pyrazole-3-carboxylic acid is a carboxyl compound that is substituted with a pyridine ring. This cyclic compound can be synthesized from the reaction of 4-ethynylphenol and formaldehyde. It can also be synthesized by the cyclocondensation of ethyl acetoacetate and phenylacetone with copper (II) sulfate. The substitution of the carboxyl group on this molecule makes it an effective reagent for the synthesis of esters.

Formula: C₇H₆N₂O₂

Purity: Min. 95%

Molecular weight: 150.13 g/mol

Ref: 3D-EEC70593