6-Ethoxy-3-pyridinylboronic acid
Product Information
Molecular Formula
C7H10BNO3
Molecular Weight
166.97
Description
Reactant for:• Domino rhodium-catalyzed alkyne arylation/palladium-catalyzed N arylation• Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors• Suzuki coupling• Preparation of heterobiaryls by Suzuki-Miyaura cross-coupling reaction with aryl or heteroaryl halides catalyzed by a palladium precatalyst and monophosphine ligand• Suzuki cross-coupling reactions to yield heteroarylpyridines
Synonyms
2-Ethoxy-5-pyridineboronic acid, 6-Ethoxypyridine-3-boronic acid
IUPAC Name
(6-ethoxypyridin-3-yl)boronic acid
SMILES
B(C1=CN=C(C=C1)OCC)(O)O
InChI
InChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChI Key
UONCERAQKBPLML-UHFFFAOYSA-N
Melting Point
116-122 °C
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
167.0753733 g/mol
Monoisotopic Mass
167.0753733 g/mol
Topological Polar Surface Area
62.6Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
134
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-2021005222-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2019-07-11 |
| CA-3146406-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2019-07-11 |
| CN-114127066-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 2019-07-11 |
| KR-20200060269-A | Novel tricyclic compound as IRAK4 inhibitors | 2018-11-21 |
| WO-2020106059-A1 | Novel tricyclic compound as irak4 inhibitor | 2018-11-21 |
| AU-2019383845-A1 | Novel tricyclic compound as IRAK4 inhibitor | 2018-11-21 |
| CN-113227095-A | Novel tricyclic compounds as IRAK4 inhibitors | 2018-11-21 |
| EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 2018-11-21 |
| JP-2022507858-A | A novel tricyclic compound as an IRAK4 inhibitor | 2018-11-21 |
| KR-102329235-B1 | Novel tricyclic compound as IRAK4 inhibitors | 2018-11-21 |
