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

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

Inquiry

Molecular Formula:

C13H20BNO3

Molecular Weight:

249.11

CAS Number:

848243-23-2

Catalog Number:

848243-23-2

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

249.1536237 g/mol

Monoisotopic Mass

249.1536237 g/mol

Topological Polar Surface Area

40.6Å²

Heavy Atom Count

Formal Charge

Complexity

280

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

Product Information

Safety Information

Computed Properties

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