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
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 |
