3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

Inquiry

Molecular Formula:

C10H14BNO2

Molecular Weight:

191.03

CAS Number:

845885-86-1

Catalog Number:

845885-86-1

Product Information

Molecular Formula:

C10H14BNO2

Molecular Weight:

191.03

Description

3-Pyridineboronic acid neopentylglycol ester can be used as a reactant: • To synthesize N-alkyl-3-boronopyridinium salts by reacting with corresponding alkyl halides. • In the ruthenium-catalyzed diastereoselective C-H bond α-arylation of cyclic amines. • To prepare 2-(3-pyridyl)benzoxazole by reacting with benzoxazole via copper-catalyzed oxidative arylation reaction.• In the Suzuki-Miyaura cross-coupling reaction.

Synonyms

4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)PYRIDINE; 3-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)PYRIDINE; AKOS BRN-0251; AKOS BRN-0243; 2-(4-PYRIDIL)-5,5-DIMETHYL-1,3,2-DIOXABORONANE; 2-(4-PYRIDYL)-5,5-DIMETHYL-1,2,3-DIOXABORINANE; 2-(3-PYRIDYL)-5,5-DIMETHYL-1,2,3-D

IUPAC Name

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

Canonical SMILES

B1(OCC(CO1)(C)C)C2=CN=CC=C2

InChI

InChI=1S/C10H14BNO2/c1-10(2)7-13-11(14-8-10)9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3

InChI Key

QMEKTOQBDDVVBE-UHFFFAOYSA-N

Boiling Point

309.8°C at 760 mmHg

Melting Point

92-96°C(lit.)

Flash Point

Not applicable

Purity

95%

Density

1.05g/cm3

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

191.1117589 g/mol

Monoisotopic Mass

191.1117589 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

189

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

Patents

Publication Number	Title	Priority Date
US-2020388885-A1	Silicon-based energy storage devices with lipo2f2 salt-containing electrolyte formulations	2019-06-05
WO-2017134146-A1	Gpbp inhibitors and uses and scaleable synthesis thereof	2016-02-02
US-2016237109-A1	Method for Preparing Abiraterone Acetate	2014-04-21
US-9663550-B2	Method for preparing abiraterone acetate	2014-04-21
KR-20160113267-A	Macrocycles with hetrocyclic p2' groups as factor xia inhibitors	2014-01-31
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05
JP-2009256323-A	Pyrazolopyrimidine derivatives	2008-03-17
EP-2197979-A2	Novel compound for organic photoelectric device and organic photoelectric device including the same	2007-10-17

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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