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CAS 1218790-25-0

:

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

Description:
1,1-Dimethylethyl 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, with CAS number 1218790-25-0, is a synthetic organic compound characterized by its complex structure, which includes a benzoate moiety, a chloro group, and a fluorine atom. The presence of the tetramethyl-1,3,2-dioxaborolane group suggests that this compound may be involved in boron chemistry, potentially serving as a reagent or intermediate in organic synthesis. Its molecular structure indicates that it may exhibit unique reactivity patterns due to the steric hindrance from the dimethyl groups and the electronic effects of the halogen and fluorine substituents. This compound may be of interest in medicinal chemistry or materials science, particularly in the development of new pharmaceuticals or functional materials. As with many synthetic compounds, its stability, solubility, and reactivity would depend on the specific conditions under which it is handled, including temperature, solvent, and the presence of other reactive species.
Formula:C17H23BClFO4
InChI:InChI=1S/C17H23BClFO4/c1-15(2,3)22-14(21)10-8-13(20)11(9-12(10)19)18-23-16(4,5)17(6,7)24-18/h8-9H,1-7H3
InChI key:InChIKey=RUXDEXGOYVGKQO-UHFFFAOYSA-N
SMILES:FC1=C(B2OC(C)(C)C(C)(C)O2)C=C(Cl)C(C(OC(C)(C)C)=O)=C1
Synonyms:
  • 1,1-Dimethylethyl 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 2-chloro-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
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