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
Canonical 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
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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