3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
191.1117589 g/mol
Monoisotopic Mass
191.1117589 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
189
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
| 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 |
