3-Pyridineboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C11H16NO2B
Molecular Weight:
205.06
Description
3-Pyridineboronic Acid Pinacol Ester (CAS# 329214-79-1) is an organoborane compound used in the preparation of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol Ester is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators.
Synonyms
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
InChI
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
InChI Key
XEMDFESAXKSEGI-UHFFFAOYSA-N
Boiling Point
300.9 °C at 760 mmHg
Melting Point
102-104.4 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.03 g/cm3
LogP
1.38080

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.1274089 g/mol
Monoisotopic Mass
205.1274089 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
227
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

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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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