(4-METHYL-PIPERAZINE-1-YL)-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
Product Information
Molecular Formula
C18H27BN2O3
Molecular Weight
330.23
Description
(4-Methyl-piperazine-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone is a specialized reagent used in biomedical research. It participates in Suzuki-Miyaura cross-coupling reactions, used in the synthesis of various biologically active compounds, including potential medications for cancer.
Synonyms
(4-METHYL-PIPERAZINE-1-YL)-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL]-METHANONE; 4-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYLBORONIC ACID, PINACOL ESTER; 4-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester, 97%
IUPAC Name
(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-10-20(5)11-13-21/h6-9H,10-13H2,1-5H3
InChI Key
TXCDVBDHDQAWLR-UHFFFAOYSA-N
Melting Point
109-114 °C
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
330.2114729 g/mol
Monoisotopic Mass
330.2114729 g/mol
Topological Polar Surface Area
42Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
451
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-2022048684-A1 | Jnk inhibitor, pharmaceutical composition thereof and use thereof | 2020-09-07 |
| CN-110483496-B | Derivative with uracil-benzothiazole structure, preparation method thereof and application of anti-HCV (hepatitis C virus) medicament | 2019-07-17 |
| US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 2018-12-20 |
| BR-112021011948-A2 | IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF | 2018-12-20 |
| JP-2022514650-A | Imidazopyridazine and imidazolepyridine compounds as inhibitors of activin receptor-like kinase-2 | 2018-12-20 |
| WO-2019113190-A1 | Bicyclic fused pyridine compounds as inhibitors of tam kinases | 2017-12-07 |
| US-11247990-B1 | Bicyclic fused pyridine compounds as inhibitors of TAM kinases | 2017-12-07 |
| AU-2017376817-A1 | Heparanase inhibitors and use thereof | 2016-12-13 |
| AU-2017376818-A1 | Heparanase inhibitors and use thereof | 2016-12-13 |
| AU-2017377659-A1 | Methods of treating ocular disorders | 2016-12-13 |
