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
Canonical 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
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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