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CAS 1040281-86-4

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3-Thiophenecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

Description:
3-Thiophenecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester is an organic compound characterized by the presence of a thiophene ring, which is a five-membered aromatic heterocycle containing sulfur. This compound features a carboxylic acid functional group that has been esterified with methanol, resulting in a methyl ester. The presence of the boron-containing moiety, specifically a tetramethyl-1,3,2-dioxaborolane, suggests potential applications in organic synthesis and medicinal chemistry, particularly in the context of boron chemistry and its role in drug development. The compound's structure indicates it may exhibit interesting electronic properties due to the conjugation between the thiophene and the ester group, which could influence its reactivity and interactions in various chemical environments. Additionally, the presence of the boron atom may enhance its utility in cross-coupling reactions, making it a valuable intermediate in the synthesis of more complex organic molecules. Overall, this compound exemplifies the intersection of heterocyclic chemistry and organoboron chemistry.
Formula:C12H17BO4S
InChI:InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)9-6-8(7-18-9)10(14)15-5/h6-7H,1-5H3
InChI key:InChIKey=ZJFOCNXPSJTTFP-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CS2
Synonyms:
  • 3-Thiophenecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
  • 4-(Methoxycarbonyl)thiophene-2-boronic acid pinacol ester
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