3-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C17H24BNO4
Molecular Weight
317.19
Description
3-(Morpholine-4-carbonyl)phenylboronic acid pinacol ester is an important organic compound used in the pharmaceutical synthesis industry. It shows good potential in the development of cancer treatment drugs.
Synonyms
4-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
IUPAC Name
morpholin-4-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-6-13(12-14)15(20)19-8-10-21-11-9-19/h5-7,12H,8-11H2,1-4H3
InChI Key
PKONGXZPUDFPPH-UHFFFAOYSA-N
Melting Point
78-84 °C
Flash Point
Not applicable
Purity
97%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
317.1798384 g/mol
Monoisotopic Mass
317.1798384 g/mol
Topological Polar Surface Area
48Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
432
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-3402799-A1 | Heterocyclic compounds as rsv inhibitors | 2016-01-15 |
| US-2017226129-A1 | Heterocyclic compounds as rsv inhibitors | 2016-01-15 |
| US-2019040084-A1 | Heterocyclic compounds as rsv inhibitors | 2016-01-15 |
| WO-2017123884-A1 | Heterocyclic compounds as rsv inhibitors | 2016-01-15 |
| US-10759816-B2 | Heterocyclic compounds as RSV inhibitors | 2016-01-15 |
| WO-2014085607-A1 | Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof | 2012-11-29 |
| AU-2012382373-A1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| AU-2013274465-A1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| EP-2858990-B1 | Pyridinone and pyridazinone derivatives | 2012-06-12 |
| JP-2015523347-A | Pyridinone and pyridazinone derivatives | 2012-06-12 |
