3-Ethoxycarbonylphenylboronic acid pinacol ester

Product Information

Molecular Formula:
C15H21BO4
Molecular Weight:
276.14
Description
3-Ethoxycarbonylphenylboronic acid pinacol ester is a versatile reagent commonly used in biomedical research. It is primarily employed in the synthesis of pharmaceutical compounds due to its ability to react with various drugs.
Synonyms
3-Carboethoxyphenylboronic acid pinacol ester, Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC Name
ethyl 3-(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=C2)C(=O)OCC
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChI Key
RQKGHIGGSFNVGW-UHFFFAOYSA-N
Melting Point
40-44 °C (lit.)
Flash Point
230.0 °F - closed cup
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

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
CN-114096545-A Novel heterocyclic compounds 2019-07-09
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 2019-06-12
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 2019-06-12
WO-2020248864-A1 Passivator, passivation method therefor and method for preparing semiconductor film 2019-06-12
AU-2018347783-A1 MAP4K4 inhibitors 2017-10-13
WO-2019073253-A1 INHIBITORS OF MAP4K4 2017-10-13
EP-3694866-A1 Map4k4 inhibitors 2017-10-13
US-2020339583-A1 Map4k4 inhibitors 2017-10-13
EA-039042-B1 Ectonucleotidase inhibitors and methods of their application 2017-09-08
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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