4-(Phenylethynyl)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C20H21BO2
Molecular Weight
304.19
Description
4-(Phenylethynyl)phenylboronic acid pinacol ester is a pivotal compound in the biomedical sector and exhibits extraordinary versatility as a foundational unit in the fabrication of pharmaceuticals and bioactive agents. This product assumes an imperative function in advancing therapeutic interventions for multifarious ailments encompassing cancer, diabetes, and inflammation. By facilitating the generation of innovative chemical architectures with augmented therapeutic attributes, its significance in drug development is unparalleled.
Synonyms
4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-[1,3,2]dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=CC=C3
InChI
InChI=1S/C20H21BO2/c1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-9,12-15H,1-4H3
InChI Key
AAIDERXZGJSORP-UHFFFAOYSA-N
Melting Point
96-100 °C
Flash Point
Not applicable
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
304.1634601 g/mol
Monoisotopic Mass
304.1634601 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
454
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-2021019051-A1 | Inhibitors of human atgl | 2019-07-30 |
| CA-3147471-A1 | Inhibitors of human atgl | 2019-07-30 |
| JP-5615459-B2 | Benzothienobenzothiophene derivatives, organic semiconductor materials, and organic transistors | 2012-09-10 |
| JP-WO2014038708-A1 | Benzothienobenzothiophene derivatives, organic semiconductor materials, and organic transistors | 2012-09-10 |
