5-Methoxy-3-pyridineboronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H18NO3B
Molecular Weight
235.09
Description
5-Methoxy-3-pyridineboronic acid pinacol ester can be used: To synthesize anthracene based bis-pyridine ligand (L), which is employed in the preparation of fluorescent M2L4 type capsules (M= Pt, Zn, Pd, Cu, Ni, Co, and Mn); As a starting material in the synthesis of pyridylmethyl pyridine derivatives as potent 11β-hydroxylase (CPY11B1) inhibitors.
Synonyms
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3
InChI Key
HENXUFOAGXNWKH-UHFFFAOYSA-N
Boiling Point
346.3 °C at 760 mmHg
Melting Point
100-108 °C
Flash Point
Not applicable
Purity
97 %
Density
1.06 g/cm3
Appearance
Solid
LogP
1.38940
Safety Information
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
235.1379736 g/mol
Monoisotopic Mass
235.1379736 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
267
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-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| CN-111808057-A | Suzuki reaction using alpha-O-alkenylsulfone as electrophile and use thereof | 2019-04-10 |
| CN-111808089-A | Preparation method of drug eprogliflozin for treating diabetes or derivative thereof | 2019-04-10 |
| EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 2018-11-21 |
| JP-2022507858-A | A novel tricyclic compound as an IRAK4 inhibitor | 2018-11-21 |
| US-2022009933-A1 | Novel tricyclic compound as irak4 inhibitor | 2018-11-21 |
| US-2020039945-A1 | Compounds | 2018-06-20 |
| WO-2019243491-A1 | Compounds | 2018-06-20 |
| AU-2019289888-A1 | Compounds | 2018-06-20 |
| BR-112020025869-A2 | compounds | 2018-06-20 |
