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CAS 7330-44-1

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m-Benzenediboronic acid, tetrabutyl ester

Description:
m-Benzenediboronic acid, tetrabutyl ester, also known by its CAS number 7330-44-1, is an organic compound characterized by the presence of two boronic acid functional groups attached to a benzene ring, with each boronic acid group esterified with a butyl group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as dichloromethane and ethanol, but has limited solubility in water due to its hydrophobic butyl groups. The presence of boron atoms in its structure allows it to participate in various chemical reactions, particularly in the formation of boronate esters and in Suzuki coupling reactions, which are valuable in organic synthesis and materials science. Its derivatives are often utilized in the development of sensors, drug delivery systems, and as intermediates in the synthesis of complex organic molecules. Safety precautions should be taken when handling this compound, as with many boron-containing compounds, due to potential irritant properties.
Formula:C22H40B2O4
InChI:InChI=1S/C22H40B2O4/c1-5-9-16-25-23(26-17-10-6-2)21-14-13-15-22(20-21)24(27-18-11-7-3)28-19-12-8-4/h13-15,20H,5-12,16-19H2,1-4H3
InChI key:InChIKey=MYKBPIMMYBFEJM-UHFFFAOYSA-N
SMILES:B(OCCCC)(OCCCC)C1=CC(B(OCCCC)OCCCC)=CC=C1
Synonyms:
  • m-Benzenediboronic acid, tetrabutyl ester
  • NSC 115631
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