2-Formylphenylboronic acid pinacol ester

Product Information

Molecular Formula:
C13H17BO3
Molecular Weight:
232.08
Description
2-Formylphenylboronic acid pinacol ester can be used as a starting material to prepare: Profluorescent probe applicable for the detection of H2O2 and Fe or Cu ions in living cells; Boronic acid pinacol ester derived nickel porphyrin, which is used to synthesize molecular spin switches and electron transfer dyads; Fluorescein hydrizido 2-imidophenylboronic ester, a fluorescent sensor prochelator applicable in the detection of copper ions.
Synonyms
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
IUPAC Name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-9H,1-4H3
InChI Key
SLJMPQLPRHIAOM-UHFFFAOYSA-N
Boiling Point
345.9 °C at 760 mmHg
Flash Point
230.0 °F
Purity
96 %
Density
1.0532 g/cm3
Appearance
Colorless to yellow liquid
Storage
2-8 °C
Refractive Index
n20/D 1.5143
LogP
1.79830

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
2
Exact Mass
232.1270746 g/mol
Monoisotopic Mass
232.1270746 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
285
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-2022035763-A1 Boron containing compounds and their uses 2020-08-10
CN-109060739-A A method of detection hydrogen peroxide 2018-07-13
CN-109060739-B Method for detecting hydrogen peroxide 2018-07-13
JP-2021519316-A Compounds as regulators of TLR2 signaling 2018-03-27
CN-105646872-A Dynamic polymer material 2016-02-26
JP-2018506540-A Benzooxaborol compounds and uses thereof 2015-02-12
US-2015246982-A1 Pyridyldiamido Transition Metal Complexes, Production and Use Thereof 2014-03-03
US-9315526-B2 Pyridyldiamido transition metal complexes, production and use thereof 2014-03-03
JP-2017502999-A Substituted bicyclic heteroaryl compounds as RXR agonists 2014-01-14
KR-20160125958-A Substituted bicyclic heteroaryl compounds as rxr agonists 2014-01-14
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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