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CAS 1072951-42-8

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1-Methyl 2-borono-5-(trifluoromethyl)benzoate

Description:
1-Methyl 2-borono-5-(trifluoromethyl)benzoate is an organoboron compound characterized by the presence of a boron atom bonded to a benzene ring, which is further substituted with a trifluoromethyl group and a methyl ester functional group. This compound typically exhibits properties associated with both boron and aromatic chemistry, including potential reactivity in cross-coupling reactions, such as Suzuki coupling, due to the boron moiety. The trifluoromethyl group enhances the compound's lipophilicity and can influence its electronic properties, making it useful in various synthetic applications. Additionally, the presence of the methyl ester group contributes to its solubility in organic solvents and may affect its reactivity in esterification or hydrolysis reactions. Overall, 1-Methyl 2-borono-5-(trifluoromethyl)benzoate is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, owing to its unique structural features and reactivity profile.
Formula:C9H8BF3O4
InChI:InChI=1S/C9H8BF3O4/c1-17-8(14)6-4-5(9(11,12)13)2-3-7(6)10(15)16/h2-4,15-16H,1H3
InChI key:InChIKey=AAXBJDGTBHKXKN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(B(O)O)C=CC(C(F)(F)F)=C1
Synonyms:
  • 2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid
  • Benzoic acid, 2-borono-5-(trifluoromethyl)-, 1-methyl ester
  • 1-Methyl 2-borono-5-(trifluoromethyl)benzoate
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