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CAS 851334-94-6

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

Description:
Ethyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, identified by its CAS number 851334-94-6, is an organic compound characterized by its complex structure, which includes a benzoate moiety and a dioxaborolane group. This compound features a chloro substituent on the aromatic ring, which can influence its reactivity and potential applications in organic synthesis. The presence of the dioxaborolane group suggests that it may participate in boron chemistry, particularly in reactions involving nucleophilic substitution or cross-coupling processes. Ethyl esters are generally known for their moderate volatility and solubility in organic solvents, making them useful in various chemical reactions. The steric hindrance introduced by the tetramethyl groups may affect the compound's reactivity and interactions with other molecules. Overall, this compound could be of interest in fields such as medicinal chemistry, materials science, or synthetic organic chemistry, particularly in the development of new synthetic methodologies or as an intermediate in the synthesis of more complex molecules.
Formula:C15H20BClO4
InChI:InChI=1S/C15H20BClO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI key:InChIKey=USWPUDAPRFLTFA-UHFFFAOYSA-N
SMILES:ClC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(C(OCC)=O)=C1
Synonyms:
  • Benzoic acid, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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