2-ETHOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE

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Product Information

Molecular Formula
C13H20BNO3
Molecular Weight
249.11
Description
2-Ethoxy-3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine is a boronic ester frequently used in pharmaceutical research. It facilitates cross-coupling reactions and acts as a versatile intermediate in the creation of therapeutic drugs for various diseases like cancer or inflammatory disorders.
Synonyms
2-ETHOXY-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE; 2-ETHOXYPYRIDINE-3-BORONIC ACID, PINACOL ESTER
IUPAC Name
2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)OCC
InChI
InChI=1S/C13H20BNO3/c1-6-16-11-10(8-7-9-15-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChI Key
GRXNEZGBXVIORK-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
96%

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
249.1536237 g/mol
Monoisotopic Mass
249.1536237 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
280
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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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