Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester
Product Information
Molecular Formula
C17H25 B O5
Molecular Weight
320.19
Description
Carbonicacid, 1,1-dimethylethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylester, extensively utilized in the thriving biomedical sector, highlights its robust therapeutic potential across a multitude of ailments encompassing cancer and inflammatory conditions. In addition to its profound pharmaceutical prowess, this exceptional compound demonstrates immense promise as an indispensable component in cutting-edge drug delivery mechanisms and an invaluable molecular probe within the realm of advanced biomedical investigations.
Synonyms
3-TERT-BUTOXYCARBONYLOXYPHENYLBORONIC ACID, PINACOL ESTER; T-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE; TERT-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE; t-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan
IUPAC Name
tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)OC(C)(C)C
InChI
InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3
InChI Key
UPAKXEPDVAHKPP-UHFFFAOYSA-N
Melting Point
84-88 °C (lit.)
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
320.1795041 g/mol
Monoisotopic Mass
320.1795041 g/mol
Topological Polar Surface Area
54Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
425
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
