4,4,5,5-Tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
phenyl]-1,3,2-dioxaborolane.gif)
Product Information
Molecular Formula
C13H16BF3O2
Molecular Weight
272.07
Description
4,4,5,5-Tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane is a versatile compound widely used in the biomedical industry. It acts as a boron-containing building block for the synthesis of various pharmaceuticals. This compound finds application in the development of drugs to treat diseases such as cancer, inflammation, and neurological disorders.
Synonyms
2-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER; 2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(Trifluoromethyl)phenylboronic acid pinacol ester; 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(2-(trifluoromethyl)-phenyl)-1,3,2-dioxaborolane; 2-Trifluoromethylphenylboronic acid pinacol ester; 4,4,5,5-tetramethyl-2-(2-trifluoromethyl-phenyl)-[1,3,2]dioxaborolane; 4,4,5,5-tetramethyl-2-(2-trifluoromethyl-phenyl)-1,3,2-dioxaborolane; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene; 4,4,5,5-Tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-8-6-5-7-9(10)13(15,16)17/h5-8H,1-4H3
InChI Key
HBQNDHPCMDZKNT-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H413
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
272.1195444 g/mol
Monoisotopic Mass
272.1195444 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
325
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| WO-2021012049-A1 | Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors | 2019-07-22 |
| EP-3764434-A1 | Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells | 2019-07-10 |
| CN-110357832-B | Preparation method of aromatic amine compound, EphB4 kinase inhibitor and derivatives thereof | 2019-07-08 |
| WO-2020087170-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors | 2018-10-30 |
| AU-2019373416-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors | 2018-10-30 |
| EP-3873905-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors | 2018-10-30 |
| US-2021277002-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors | 2018-10-30 |
| CN-108690150-B | Catalyst system for olefin polymerization and olefin polymerization method | 2017-04-07 |
| CN-108690151-B | Catalyst system for olefin polymerization and olefin polymerization method | 2017-04-07 |
