2-BENZYLOXYPYRIDINE-5-BORONIC ACID, PINACOL ESTER
Product Information
Molecular Formula
C18H22BNO3
Molecular Weight
311.18
Description
2-BENZYLOXYPYRIDINE-5-BORONIC ACID, PINACOL ESTER is a biochemical used in biomedicine. It acts as an important reactant in the synthesis of novel therapeutic drugs, specifically in the creation of potent pharmaceuticals aimed at combating various cardiovascular diseases.
Synonyms
2-BENZYLOXY-5-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)PYRIDINE; 2-BENZYLOXYPYRIDINE-5-BORONIC ACID, PINACOL ESTER; 6-(Benzyloxy)pyridine-3-boronic acid pinacol ester; 2-Benzyloxy-5-pyridineboronic acid pinacol ester
IUPAC Name
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(20-12-15)21-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChI Key
MXNLRVZITPPZHT-UHFFFAOYSA-N
Melting Point
141-145 °C
Flash Point
Not applicable
Purity
95%
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
311.1692737 g/mol
Monoisotopic Mass
311.1692737 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
380
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 |
|---|---|---|
| TW-202012403-A | Ion channel regulator | 2018-05-30 |
| BR-112020024379-A2 | ion channel modulators | 2018-05-30 |
| CN-112423760-A | Ion channel modulators | 2018-05-30 |
| US-2021087197-A1 | Ion channel modulators | 2018-05-30 |
| US-11014931-B2 | 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine as an ion channel modulator | 2018-05-30 |
| US-2021163488-A1 | Ion channel modulators | 2018-05-30 |
| US-2022024930-A1 | Ion channel modulators | 2018-05-30 |
| WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| EP-3740493-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
