6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
Product Information
Molecular Formula
C16H19BN2O3
Molecular Weight
298.14
Description
Reactant for:• Preparation of alkylated sulfonamides via alkylation with alcohols catalyzed by Ag/Mo hybrid• Preparation of 7-disubstituted oxyindoles as EP3 receptor antagonists• Preparation of N-substituted sulfonamides via ferrous chloride-catalyzed N-alkylation with benzylic alcohols• Preparation of (alkyl)hydroxybenzimidazoles, via a O- to N-acyl transfer reaction, as intermediates for EP3 receptor antagonists• Preparation of N-arylsulfonyl β-[(aryloxy)indolyl]acrylamides as potent and selective EP3 receptor antagonists
Synonyms
6-Methoxy-2-pyridineboronic acid-N-phenyldiethanolamine ester
IUPAC Name
2-(6-methoxypyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC(=CC=C3)OC
InChI
InChI=1S/C16H19BN2O3/c1-20-16-9-5-8-15(18-16)17-21-12-10-19(11-13-22-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChI Key
DBLBCHOTUMUCCT-UHFFFAOYSA-N
Melting Point
210 °C (dec.) (lit.)
Appearance
White to off-white powder
Safety Information
Hazards
H228-H315-H317-H318-H335
Precautionary Statement
P210-P261-P264-P280-P305 + P351 + P338 + P310-P370 + P378
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
298.1488726 g/mol
Monoisotopic Mass
298.1488726 g/mol
Topological Polar Surface Area
43.8Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
319
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 |
|---|---|---|
| AU-2009208947-A1 | Oxim derivatives as HSP90 inhibitors | 2008-02-01 |
| AU-2009208947-B2 | Oxim derivatives as HSP90 inhibitors | 2008-02-01 |
| CA-2713658-A1 | Oxim derivatives as hsp90 inhibitors | 2008-02-01 |
| CA-2713658-C | Oxim derivatives as hsp90 inhibitors | 2008-02-01 |
| EA-019156-B1 | OXIMA DERIVATIVES AS HSP90 INHIBITORS | 2008-02-01 |
| EP-2252595-A1 | Oxim derivatives as hsp90 inhibitors | 2008-02-01 |
| EP-2252595-B1 | Oxim derivatives as hsp90 inhibitors | 2008-02-01 |
| ES-2475206-T3 | Oxime derivatives as HSP90 inhibitors | 2008-02-01 |
| JP-2011511003-A | Oxime derivatives as HSP90 inhibitors | 2008-02-01 |
| JP-5524084-B2 | Oxime derivatives as HSP90 inhibitors | 2008-02-01 |
