2-Aminopyridine-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H17N2O2B
Molecular Weight
220.08
Description
Substrate used in a microwave-assisted, four-component coupling process leading to amino substituted imidazopyridines.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)
InChI Key
YFTAUNOLAHRUIE-UHFFFAOYSA-N
Boiling Point
146 °C / 0.3 mmHg
Melting Point
131-135 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.09 g/cm3
LogP
1.54420
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
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
220.1383080 g/mol
Monoisotopic Mass
220.1383080 g/mol
Topological Polar Surface Area
57.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
255
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-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 2021-02-05 |
| CZ-34975-U1 | Human constitutive adrostane receptor ligands | 2020-11-09 |
| 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 |
| CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 2020-07-15 |
| CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 2020-07-15 |
| WO-2021252488-A1 | Inhibitors of nek7 kinase | 2020-06-08 |
| JP-2021187859-A | Pharmaceutical use of heterocyclic compounds | 2020-05-29 |
| WO-2021239743-A1 | Il-17a modulators | 2020-05-27 |
| WO-2021239745-A1 | Il-17a modulators | 2020-05-27 |
| US-11161852-B1 | Inhibitors of NEK7 kinase | 2020-05-08 |
