Boron,[[2,2'-(phenylimino-kN)bis[ethanolato-kO]](2-)]-2-pyridinyl-, (T-4)- (9CI)
Product Information
Molecular Formula
C15H17 B N2 O2
Molecular Weight
268.12
Description
Reactant involved in Suzuki-Miyaura cross-coupling reactions for synthesis of 2-pyridylboronate
Synonyms
PYRIDINE-2-BORONIC ACID N-PHENYL DIETHANOLAMINE ESTER; PYRIDYL-2-BORONIC ACID,N-PHENYLDIETHANOLAMINE ESTER; N-PHENYLDIETHANOLAMINE-2-PYRIDYLBORONATE; 2-PYRIDINEBORONIC ACID N-PHENYLDIETHANOLAMINE ESTER; AKOS BRN-0502; 2-Pyridineboronic acid [2,2`(phenylimino)
IUPAC Name
6-phenyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C15H17BN2O2/c1-2-6-14(7-3-1)18-10-12-19-16(20-13-11-18)15-8-4-5-9-17-15/h1-9H,10-13H2
InChI Key
QDIQDVHNUYDVDD-UHFFFAOYSA-N
Melting Point
>300 °C (lit.)
Appearance
White to off-white powder
Safety Information
Hazards
H228 - H315 - H317 - H318
Precautionary Statement
P210 - P261 - P264 - P280 - P305 + P351 + P338 + P310 - P370 + P378
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
268.1383080 g/mol
Monoisotopic Mass
268.1383080 g/mol
Topological Polar Surface Area
34.6Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
277
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 |
|---|---|---|
| US-2015131302-A1 | Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device | 2013-11-13 |
| US-9917261-B2 | Organic compound, light-emitting element, display module, lighting module, light-emitting device, display device, electronic device, and lighting device | 2013-11-13 |
| EP-2920183-A1 | Thieno[3,2-c]pyridin-4(5h)-ones as bet inhibitors | 2012-11-14 |
| EP-2920183-B1 | Thieno[3,2-c]pyridin-4(5h)-ones as bet inhibitors | 2012-11-14 |
| US-2016297832-A1 | Thieno[3,2-c]pyridin-4(5h)-ones as bet inhibitors | 2012-11-14 |
| US-9663533-B2 | Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors | 2012-11-14 |
| WO-2014078257-A1 | Thieno[3,2-c]pyridin-4(5h)-ones as bet inhibitors | 2012-11-14 |
| US-2013059840-A1 | Sulfonamido pyrrolidine compounds which inhibit beta-secretase activity and methods of use thereof | 2009-10-05 |
| EP-2464647-A1 | Azaindazoles as btk kinase modulators and use thereof | 2009-08-11 |
| EP-2789615-A1 | Azaindazoles as Btk kinase modulators and use thereof | 2009-08-11 |
