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