3-Pyridineboronic acid MIDA ester
Product Information
Molecular Formula
C10H11BN2O4
Molecular Weight
234.02
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
6-Methyl-2-(3-pyridinyl)-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
6-methyl-2-pyridin-3-yl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CN=CC=C2
InChI
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(17-10(15)7-13)8-3-2-4-12-5-8/h2-5H,6-7H2,1H3
InChI Key
QJEDFNBMCXNWRT-UHFFFAOYSA-N
Melting Point
210-217 °C
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
234.0811870 g/mol
Monoisotopic Mass
234.0811870 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
293
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 |
|---|---|---|
| EP-2914598-A1 | Hepatitis c virus inhibitors | 2012-11-02 |
| EP-2914598-B1 | Hepatitis c virus inhibitors | 2012-11-02 |
| US-2015329547-A1 | Hepatitis C Virus Inhibitors | 2012-11-02 |
| US-9334279-B2 | Hepatitis C virus inhibitors | 2012-11-02 |
| WO-2014071007-A1 | Hepatitis c virus inhibitors | 2012-11-02 |
| WO-2013059648-A1 | 2,3,5 trisubstituted aryl and heteroaryl amino derivatives, compositions, and methods of use | 2011-10-21 |
