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CAS 195062-62-5

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Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound characterized by its ester functional group and a boron-containing moiety. The presence of the dioxaborolane ring contributes to its unique reactivity, particularly in cross-coupling reactions, making it valuable in synthetic organic chemistry. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents such as dichloromethane and ethyl acetate, but has limited solubility in water due to its hydrophobic aromatic structure. The compound is often used as a reagent in the synthesis of various organic molecules, particularly in the development of pharmaceuticals and agrochemicals. Safety data indicates that it should be handled with care, as with many boron-containing compounds, due to potential toxicity and environmental concerns. Proper storage in a cool, dry place away from light is recommended to maintain its stability and reactivity.
Formula:C15H21BO4
InChI:InChI=1S/C15H21BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChI key:InChIKey=NCVIYKCFTYSAGN-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid ethyl ester
  • 4-Carboethoxyphenylboronic Acid Pinacol Ester
  • 4-Ethoxycarbonylphenylboronic Acid, Pinacol Ester
  • Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-
  • 2-(4-(Ethoxycarbonyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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