2-Methoxy-3-pyridylboronic Acid
Product Information
Molecular Formula
C6H8NO3B
Molecular Weight
152.94
Description
2-Methoxy-3-pyridylboronic Acid (CAS# 163105-90-6) is a useful research chemical.
Synonyms
(2-methoxy-3-pyridinyl)boronic acid; (2-methoxypyridin-3-yl)boronic acid
IUPAC Name
(2-methoxypyridin-3-yl)boronic acid
SMILES
B(C1=C(N=CC=C1)OC)(O)O
InChI
InChI=1S/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
InChI Key
NVOLYUXUHWBCRJ-UHFFFAOYSA-N
Boiling Point
326.4 °C at 760 mmHg
Melting Point
140-144 °C
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.24 g/cm3
Storage
2-8 °C
LogP
-1.23000
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
153.0597233 g/mol
Monoisotopic Mass
153.0597233 g/mol
Topological Polar Surface Area
62.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
122
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 |
|---|---|---|
| WO-2022003712-A1 | Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof | 2020-06-29 |
| WO-2021238881-A1 | Triazolone compound | 2020-05-29 |
| WO-2021239558-A1 | Pyrazolo[1,5-a]pyrimidine derivatives having multimodal activity against pain | 2020-05-27 |
| JP-2021183587-A | Heterocyclic compound | 2020-05-22 |
| KR-20210144603-A | Novel compound and organic light emitting device comprising the same | 2020-05-22 |
| WO-2021234451-A1 | 3-((1h-pyrazol-4-yl)methyl)-6'-(phenyl)-2h-(1,2'-bipyridin)-2-one derivatives and related compounds as gpr139 antagonists for use in a method of treatment of e.g. depression | 2020-05-22 |
| WO-2021235906-A1 | Novel compound and organic light-emitting element comprising same | 2020-05-22 |
| WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 2020-03-27 |
| JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 2020-02-28 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 17148917 | 2006-12-01 | (2-Methoxy-3-pyridyl)boronic acid | Acta crystallographica. Section C, Crystal structure communications |
| 15624958 | 2005-01-07 | Palladium-catalyzed cross-coupling reactions of pyridylboronic acids with heteroaryl halides bearing a primary amine group: synthesis of highly substituted bipyridines and pyrazinopyridines | The Journal of organic chemistry |
| 15007413 | 2004-03-21 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
