7-Chloroquinoline-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C15H17ClNO2B
Molecular Weight
289.56
Description
7-Chloroquinoline-4-boronic Acid Pinacol Ester (CAS# 871125-83-6) is a useful research chemical.
Synonyms
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline; 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
IUPAC Name
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)12-7-8-18-13-9-10(17)5-6-11(12)13/h5-9H,1-4H3
InChI Key
GZDUYRAAWRRVEY-UHFFFAOYSA-N
Boiling Point
415 °C at 760 mmHg
Melting Point
81-87 °C
Purity
90 %
Density
1.19 g/cm3
LogP
3.18740
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
289.1040866 g/mol
Monoisotopic Mass
289.1040866 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
361
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-2021317134-A1 | Ubiquitin-specific-processing protease 7 (usp7) modulators and uses thereof | 2019-03-07 |
| US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 2018-12-20 |
| TW-202039502-A | Imidazopyridazine and imidazopyridine compounds and uses thereof | 2018-12-20 |
| IL-284139-D0 | Imidazopyridazine and imidazopyridine compounds and their use | 2018-12-20 |
| KR-20210116488-A | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 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 |
| KR-20180056765-A | Vialyl kinase inhibitor | 2015-10-01 |
| US-10544120-B2 | Biaryl kinase inhibitors | 2015-10-01 |
| US-2018346440-A1 | Biaryl kinase inhibitors | 2015-10-01 |
