2-Phenyl-1-ethynylboronic acid pinacol ester

Product Information

Molecular Formula:
C14H17BO2
Molecular Weight:
228.1
Description
2-Phenyl-1-ethynylboronic acid pinacol ester has potential antiviral and anticancer properties and can be applied in drug development against viral infection and cancer cell growth. This compound molecule plays a crucial role in inhibiting the proliferation of specific pathogens and malignant cells.
Synonyms
4,4,5,5-Tetramethyl-2-(phenylethynyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(2-phenylethynyl)-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C#CC2=CC=CC=C2
InChI
InChI=1S/C14H17BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-9H,1-4H3
InChI Key
VEIORNIWTVJLCN-UHFFFAOYSA-N
Melting Point
49-68 °C
Flash Point
Not applicable
Purity
95%
Appearance
white to tan solid

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
228.1321599 g/mol
Monoisotopic Mass
228.1321599 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
326
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-2022006457-A1 Tricyclic urea compounds as jak2 v617f inhibitors 2020-07-02
WO-2020059824-A1 Boron-containing conjugated polyene compound, method for producing same, and method for producing conjugated polyene compound 2018-09-19
CN-112714767-A Boron-containing conjugated polyene compound, process for producing the same, and process for producing conjugated polyene compound 2018-09-19
JP-WO2020059824-A1 A boron-containing conjugated polyene compound and a method for producing the same, and a method for producing the conjugated polyene compound. 2018-09-19
CN-107573336-B Benzoheterocycle-formamide-pyridone derivative and preparation method and application thereof 2016-07-05
KR-101759774-B1 A method for preparing core-shell copper nanoparticlesimmobilized on activated carbonandthe preparation of chalcogenide compoundusing them as a catalyst 2015-04-21
KR-20160125181-A A method for preparing core-shell copper nanoparticlesimmobilized on activated carbonandthe preparation of chalcogenide compoundusing them as a catalyst 2015-04-21
US-2016311768-A1 Method of preparing core-shell copper nanoparticles immobilized on activated carbon and method of preparing chalcogenide compound using nanoparticles as catalyst 2015-04-21
US-9518012-B2 Method of preparing core-shell copper nanoparticles immobilized on activated carbon and method of preparing chalcogenide compound using nanoparticles as catalyst 2015-04-21
EP-2876109-A1 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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