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CAS 648412-55-9

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2-Thiophenecarboxylic acid, 4-bromo-5-cyano-3-methyl-, methyl ester

Description:
2-Thiophenecarboxylic acid, 4-bromo-5-cyano-3-methyl-, methyl ester, identified by its CAS number 648412-55-9, is an organic compound characterized by its thiophene ring structure, which is a five-membered aromatic heterocycle containing sulfur. This compound features a carboxylic acid moiety that has been esterified with methanol, resulting in a methyl ester. The presence of a bromine atom and a cyano group at specific positions on the thiophene ring contributes to its reactivity and potential applications in various chemical syntheses. The methyl group at the 3-position enhances its lipophilicity, which can influence its solubility and biological activity. This compound may exhibit interesting properties such as antimicrobial or anti-inflammatory activities, making it of interest in pharmaceutical research. Additionally, the presence of multiple functional groups suggests potential for further chemical modifications, which can lead to the development of new derivatives with tailored properties for specific applications in materials science or medicinal chemistry.
Formula:C8H6BrNO2S
InChI:InChI=1S/C8H6BrNO2S/c1-4-6(9)5(3-10)13-7(4)8(11)12-2/h1-2H3
InChI key:InChIKey=XIGOSUBHDNBPFI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1SC(C#N)=C(Br)C1C
Synonyms:
  • Methyl 4-bromo-5-cyano-3-methylthiophene-2-carboxylate
  • 2-Thiophenecarboxylic acid, 4-bromo-5-cyano-3-methyl-, methyl ester
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