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

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

Inquiry

Molecular Formula:

C11H14BCl2NO2

Molecular Weight:

273.95136

CAS Number:

1073371-98-8

Catalog Number:

1073371-98-8

Product Information

Molecular Formula:

C11H14BCl2NO2

Molecular Weight:

273.95136

Description

2,5-Dichloro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine is a significant biomedical intermediate in constructing pharmacological agents. Specifically used in Suzuki-Miyaura coupling reactions, it serves as a precursor in drug synthesis targeting cardiovascular diseases and certain types of cancer.

Synonyms

2,5-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 1073371-98-8; 2,5-Dichloropyridine-3-boronicacidpinacolester; 2,5-Dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,5-DICHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)PYRIDINE; AC1Q2CS4

IUPAC Name

2,5-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)Cl

InChI

InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-15-9(8)14/h5-6H,1-4H3

InChI Key

LWZQWBPCOIYKQG-UHFFFAOYSA-N

Boiling Point

357.6°C at 760 mmHg

Flash Point

Not applicable

Purity

95%

Density

1.24g/cm3

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

273.0494642 g/mol

Monoisotopic Mass

273.0494642 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

285

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

Product Information

Safety Information

Computed Properties

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