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
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
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113831292-A | Organic electron transport material containing benzimidazole and anthracene and application thereof | 2021-10-13 |
| CN-113072562-A | GSK-3 beta inhibitor and preparation method and application thereof | 2021-04-06 |
| CN-113072562-B | GSK-3 beta inhibitor and preparation method and application thereof | 2021-04-06 |
| CN-112876456-A | Cinnoline compound PI3K kinase inhibitor, preparation method thereof and application thereof in pharmacy | 2021-02-04 |
| CN-112300134-A | ASK1 inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 2020-10-30 |
| CN-112250718-A | Photoelectric dual-response mercury ion probe and preparation method and application thereof | 2020-08-20 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022008912-A1 | Benzodiazepine derivatives useful in treating a respiratory syncytial virus infection | 2020-07-07 |
| WO-2021253098-A1 | Amido compounds | 2020-06-19 |
| CN-111640877-A | Organic electroluminescent element | 2020-06-09 |
