trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester
Product Information
Molecular Formula
C14H18BClO2
Molecular Weight
264.56
Description
trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester is a vital reagent employed in the biomedicine industry for synthesizing pharmaceuticals and drug intermediates. Its unique structure enables it to participate in various cross-coupling reactions, making it an invaluable tool in medicinal chemistry. Widely used for the preparation of boronic ester derivatives, it finds applications in the drug development of cancer, inflammatory disorders, and neurological diseases.
Synonyms
2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,2-[(1E)-2-(4-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+
InChI Key
CQJXSSVRGHRVOK-MDZDMXLPSA-N
Melting Point
88-92 °C
Flash Point
Not applicable
Purity
≥94%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
264.1088377 g/mol
Monoisotopic Mass
264.1088377 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
304
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
