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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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