2-(Ethoxycarbonyl)phenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C15H21O4B
Molecular Weight:
276.14
Description
2-(Ethoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 269409-99-6) is a useful research chemical.
Synonyms
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester; ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC Name
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChI Key
RFBZWPFBCXBBJS-UHFFFAOYSA-N
Boiling Point
378 °C at 760 mmHg
Melting Point
60-65 °C
Flash Point
Not applicable
Purity
97 %
Density
1.07 g/cm3
LogP
2.16250

Safety Information

Precautionary Statement
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
276.1532893 g/mol
Monoisotopic Mass
276.1532893 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
351
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-2021150383-A1 Cosmeceutical composition 2020-01-23
WO-2020243027-A1 Compounds, compositions, and methods of use 2019-05-24
EA-039042-B1 Ectonucleotidase inhibitors and methods of their application 2017-09-08
AU-2017382888-A1 Ectonucleotidase inhibitors and methods of use thereof 2016-12-22
BR-112019012327-A2 ectonucleotidase inhibitors and methods of use thereof 2016-12-22
CA-3047988-A1 Ectonucleotidase inhibitors and methods of use thereof 2016-12-22
EP-3558998-A1 Ectonucleotidase inhibitors and methods of use thereof 2016-12-22
JP-2020504735-A Ectonucleotidase inhibitors and methods of use 2016-12-22
KR-20190114972-A Ectonucleotidase inhibitors and uses thereof 2016-12-22
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof 2016-12-22
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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