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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

Inquiry

Molecular Formula:

C13H16BF3O2

Molecular Weight:

272.07

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

272.1195444 g/mol

Monoisotopic Mass

272.1195444 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

325

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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