2-[(Trimethylsilyl)ethynyl]phenylboronic acid pinacol ester

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Product Information

Molecular Formula:
C17H25BO2Si
Molecular Weight:
300.28
Description
2-[(Trimethylsilyl)ethynyl]phenylboronic acid pinacol ester is utilized in the biomedical field for synthesizing unique bioactive molecules. It plays a critical role in the development of drugs targeted towards multiple diseases including cancer. It also helps enhance the selectivity of pharmaceuticals.
Synonyms
4,4,5,5-Tetramethyl-2-[2-[(trimethylsilyl)ethynyl]phenyl]-1,3,2-dioxaborolane
IUPAC Name
trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C#C[Si](C)(C)C
InChI
InChI=1S/C17H25BO2Si/c1-16(2)17(3,4)20-18(19-16)15-11-9-8-10-14(15)12-13-21(5,6)7/h8-11H,1-7H3
InChI Key
DGIPMGSJOHTUON-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
95%
Density
0.959 g/mL at 25 °C
Refractive Index
n20/D 1.514

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
300.1716867 g/mol
Monoisotopic Mass
300.1716867 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
436
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
EP-3268375-A1 Photochromic thienochromene compounds 2015-03-10
US-10501477-B2 Photochromic thienochromene compounds 2015-03-10
US-2018051037-A1 Photochromic Thienochromene Compounds 2015-03-10
WO-2016144324-A1 Photochromic thienochromene compounds 2015-03-10
CN-107406459-B Photochromic thienobenzopyran compounds 2015-03-10
AU-2011338389-A1 Bicyclic compounds as Pim inhibitors 2010-12-09
CA-2819373-A1 Bicyclic compounds as pim inhibitors 2010-12-09
JP-2014500277-A Bicyclic compounds as PIM inhibitors 2010-12-09
US-2014031360-A1 Bicyclic compounds as pim inhibitors 2010-12-09
US-9090593-B2 Bicyclic compounds as Pim inhibitors 2010-12-09
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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