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
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 |
