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CAS 913835-92-4

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1-Methyl 3-borono-4-chlorobenzoate

Description:
1-Methyl 3-borono-4-chlorobenzoate is an organic compound characterized by its boronic acid derivative structure, which includes a boron atom bonded to a phenyl ring. This compound features a methyl group, a boron functional group, and a chlorine substituent on the aromatic ring, contributing to its reactivity and potential applications in organic synthesis, particularly in cross-coupling reactions such as Suzuki coupling. The presence of the boron atom makes it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals. Additionally, the chlorine atom can serve as a leaving group in nucleophilic substitution reactions. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity and functional groups make it a useful building block in the development of more complex molecules in medicinal chemistry and materials science. Safety precautions should be observed when handling this compound, as with many organoboron compounds, due to potential toxicity and reactivity.
Formula:C8H8BClO4
InChI:InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChI key:InChIKey=LZMDHZSRUQKDFI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(B(O)O)=C(Cl)C=C1
Synonyms:
  • (2-Chloro-5-methoxycarbonylphenyl)boronic acid
  • 1-Methyl 3-borono-4-chlorobenzoate
  • 2-Chloro-5-(methoxycarbonyl)phenylboronicacid
  • Benzoic Acid, 3-Borono-4-Chloro-, Methyl Ester
  • Benzoic acid, 3-borono-4-chloro-, 1-methyl ester
  • [2-Chloro-5-(methoxycarbonyl)phenyl]boronic acid
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