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
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 |
