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CAS 913835-94-6

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1-Ethyl 4-borono-3-chlorobenzoate

Description:
1-Ethyl 4-borono-3-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 an ethyl group, a chlorobenzoate moiety, and a boron functional group, making it useful in various chemical reactions, particularly in Suzuki coupling reactions for the synthesis of biaryl compounds. The presence of the boron atom allows for the formation of covalent bonds with nucleophiles, enhancing its reactivity. The chlorobenzoate part of the molecule contributes to its electrophilic character, facilitating further chemical transformations. Additionally, this compound is typically soluble in organic solvents, which aids in its application in organic synthesis. Its unique combination of functional groups makes it a valuable intermediate in the development of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as compounds containing boron and chlorine can pose specific hazards.
Formula:C9H10BClO4
InChI:InChI=1/C9H10BClO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3
InChI key:InChIKey=JVVJLOYYNCABND-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Cl)=C(B(O)O)C=C1
Synonyms:
  • (2-Chloro-4-(ethoxycarbonyl)phenyl)boronicacid
  • (2-Chloro-4-ethoxycarbonylphenyl)boronic acid
  • 1-Ethyl 4-borono-3-chlorobenzoate
  • 2-Chloro-4-(ethoxycarbonyl)benzeneboronic acid
  • Benzoic acid, 4-borono-3-chloro-, 1-ethyl ester
  • [2-Chloro-4-(ethoxycarbonyl)phenyl]boronic acid
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