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CAS 906095-68-9

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Methyl 2-amino-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Methyl 2-amino-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, with the CAS number 906095-68-9, is a chemical compound characterized by its complex structure that includes an amino group, a fluorine atom, and a boron-containing dioxaborolane moiety. This compound is typically used in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals due to its potential biological activity. The presence of the amino group suggests it may participate in various chemical reactions, such as nucleophilic substitutions or coupling reactions. The fluorine atom can enhance the lipophilicity and metabolic stability of the compound, making it more suitable for drug development. Additionally, the dioxaborolane group is known for its ability to form stable complexes with various substrates, which can be advantageous in catalysis and material science. Overall, this compound exemplifies the intersection of organic chemistry and medicinal applications, showcasing the importance of functional groups in determining chemical behavior and reactivity.
Formula:C14H19BFNO4
InChI:InChI=1S/C14H19BFNO4/c1-13(2)14(3,4)21-15(20-13)10-7-8(16)6-9(11(10)17)12(18)19-5/h6-7H,17H2,1-5H3
InChI key:InChIKey=RLCITPFEYZSGDO-UHFFFAOYSA-N
SMILES:NC1=C(B2OC(C)(C)C(C)(C)O2)C=C(F)C=C1C(OC)=O
Synonyms:
  • Methyl 2-amino-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 2-amino-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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